PubChemLite - N-[4-(diethylamino)phenyl]-2-[[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]disulfanyl]benzamide (C34H38N4O2S2)

Structural Information

Molecular Formula

SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)N(CC)CC

InChI

InChI=1S/C34H38N4O2S2/c1-5-37(6-2)27-21-17-25(18-22-27)35-33(39)29-13-9-11-15-31(29)41-42-32-16-12-10-14-30(32)34(40)36-26-19-23-28(24-20-26)38(7-3)8-4/h9-24H,5-8H2,1-4H3,(H,35,39)(H,36,40)

InChIKey

HQOWPOJBJPZTTM-UHFFFAOYSA-N

Compound name

N-[4-(diethylamino)phenyl]-2-[[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]disulfanyl]benzamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	599.25088	243.6
[M+Na]+	621.23282	243.6
[M-H]-	597.23632	255.2
[M+NH4]+	616.27742	245.8
[M+K]+	637.20676	236.6
[M+H-H2O]+	581.24086	230.6
[M+HCOO]-	643.24180	256.2
[M+CH3COO]-	657.25745	272.2
[M+Na-2H]-	619.21827	241.8
[M]+	598.24305	247.9
[M]-	598.24415	247.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

599.25088

243.6

[M+Na]+

621.23282

243.6

[M-H]-

597.23632

255.2

[M+NH4]+

616.27742

245.8

[M+K]+

637.20676

236.6

[M+H-H2O]+

581.24086

230.6

[M+HCOO]-

643.24180

256.2

[M+CH3COO]-

657.25745

272.2

[M+Na-2H]-

619.21827

241.8

[M]+

598.24305

247.9

[M]-

598.24415

247.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-[4-(diethylamino)phenyl]-2-[[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]disulfanyl]benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe