CID 1273446

477330-69-1

Structural Information

Molecular Formula
C25H23N3O3S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)C)OC
InChI
InChI=1S/C25H23N3O3S/c1-16-8-11-18(12-9-16)28-24(30)19-6-4-5-7-20(19)27-25(28)32-15-23(29)26-21-14-17(2)10-13-22(21)31-3/h4-14H,15H2,1-3H3,(H,26,29)
InChIKey
GTBDVQWDRLFXAI-UHFFFAOYSA-N
Compound name
N-(2-methoxy-5-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.14603 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.15331 208.2
[M+Na]+ 468.13525 216.8
[M-H]- 444.13875 216.3
[M+NH4]+ 463.17985 215.6
[M+K]+ 484.10919 209.4
[M+H-H2O]+ 428.14329 196.7
[M+HCOO]- 490.14423 222.8
[M+CH3COO]- 504.15988 216.6
[M+Na-2H]- 466.12070 209.3
[M]+ 445.14548 213.7
[M]- 445.14658 213.7
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.