CID 3055159

Brn 0725162

Structural Information

Molecular Formula
C25H22N4O2S
SMILES
CC1=CC(=CC=C1)NC(=S)NC(=O)C(C)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C25H22N4O2S/c1-16-9-8-12-19(15-16)26-25(32)28-23(30)17(2)29-22(18-10-4-3-5-11-18)27-21-14-7-6-13-20(21)24(29)31/h3-15,17H,1-2H3,(H2,26,28,30,32)
InChIKey
KUYPJSHMCCYNSZ-UHFFFAOYSA-N
Compound name
N-[(3-methylphenyl)carbamothioyl]-2-(4-oxo-2-phenylquinazolin-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.14636 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.15364 202.7
[M+Na]+ 465.13558 217.2
[M+NH4]+ 460.18018 209.2
[M+K]+ 481.10952 207.5
[M-H]- 441.13908 209.4
[M+Na-2H]- 463.12103 212.4
[M]+ 442.14581 207.1
[M]- 442.14691 207.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.