1448522-46-0 (C30H34N4O2)

Structural Information

Molecular Formula

SMILES

CC(C)C1COC(=N1)C2=CC=CC=C2NC3=CC=CC=C3NC4=CC=CC=C4C5=NC(CO5)C(C)C

InChI

InChI=1S/C30H34N4O2/c1-19(2)27-17-35-29(33-27)21-11-5-7-13-23(21)31-25-15-9-10-16-26(25)32-24-14-8-6-12-22(24)30-34-28(18-36-30)20(3)4/h5-16,19-20,27-28,31-32H,17-18H2,1-4H3

InChIKey

VFOZTAVXRHGQSV-UHFFFAOYSA-N

Compound name

1-N,2-N-bis[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]benzene-1,2-diamine

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]+	483.275476	220.1
[M+Na]+	505.257418	223.1
[M-H]-	481.260924	234.5
[M+NH4]+	500.302023	224.2
[M+K]+	521.231358	219.2
[M+H-H2O]+	465.265460	208.8
[M+HCOO]-	527.266401	237.2
[M+CH3COO]-	541.282051	227.2
[M+Na-2H]-	503.242866	215.3
[M]+	482.26765142	220.2
[M]-	482.26874858	220.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.275476

220.1

[M+Na]+

505.257418

223.1

[M-H]-

481.260924

234.5

[M+NH4]+

500.302023

224.2

[M+K]+

521.231358

219.2

[M+H-H2O]+

465.265460

208.8

[M+HCOO]-

527.266401

237.2

[M+CH3COO]-

541.282051

227.2

[M+Na-2H]-

503.242866

215.3

[M]+

482.26765142

220.2

[M]-

482.26874858

220.2

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

1448522-46-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe