CID 1272983

477318-79-9

Structural Information

Molecular Formula
C25H23N3O3S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C
InChI
InChI=1S/C25H23N3O3S/c1-3-31-20-14-12-19(13-15-20)28-24(30)21-6-4-5-7-22(21)27-25(28)32-16-23(29)26-18-10-8-17(2)9-11-18/h4-15H,3,16H2,1-2H3,(H,26,29)
InChIKey
YCELKXMYOIRAEB-UHFFFAOYSA-N
Compound name
2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
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 207.3
[M+Na]+ 468.13525 215.1
[M-H]- 444.13875 215.1
[M+NH4]+ 463.17985 214.6
[M+K]+ 484.10919 207.7
[M+H-H2O]+ 428.14329 195.7
[M+HCOO]- 490.14423 222.0
[M+CH3COO]- 504.15988 215.4
[M+Na-2H]- 466.12070 209.3
[M]+ 445.14548 212.5
[M]- 445.14658 212.5
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.