PubChemLite - 31385-04-3 (C38H51N3)

Structural Information

Molecular Formula

SMILES

CC(C)C(CCN(C)C)(CN=CC(CCN(C)C)(C1=CC=CC2=CC=CC=C21)C(C)C)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C38H51N3/c1-29(2)37(23-25-40(5)6,35-21-13-17-31-15-9-11-19-33(31)35)27-39-28-38(30(3)4,24-26-41(7)8)36-22-14-18-32-16-10-12-20-34(32)36/h9-22,27,29-30H,23-26,28H2,1-8H3

InChIKey

OCJMQMOHLHOJII-UHFFFAOYSA-N

Compound name

3-[[[2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylbutylidene]amino]methyl]-N,N,4-trimethyl-3-naphthalen-1-ylpentan-1-amine

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]+	550.41558	247.1
[M+Na]+	572.39752	246.3
[M-H]-	548.40102	255.9
[M+NH4]+	567.44212	253.7
[M+K]+	588.37146	241.7
[M+H-H2O]+	532.40556	234.5
[M+HCOO]-	594.40650	263.5
[M+CH3COO]-	608.42215	273.8
[M+Na-2H]-	570.38297	247.8
[M]+	549.40775	252.2
[M]-	549.40885	252.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

550.41558

247.1

[M+Na]+

572.39752

246.3

[M-H]-

548.40102

255.9

[M+NH4]+

567.44212

253.7

[M+K]+

588.37146

241.7

[M+H-H2O]+

532.40556

234.5

[M+HCOO]-

594.40650

263.5

[M+CH3COO]-

608.42215

273.8

[M+Na-2H]-

570.38297

247.8

[M]+

549.40775

252.2

[M]-

549.40885

252.2

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

31385-04-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe