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]+ 446.153306 207.3
[M+Na]+ 468.135248 215.1
[M-H]- 444.138754 215.1
[M+NH4]+ 463.179853 214.6
[M+K]+ 484.109188 207.7
[M+H-H2O]+ 428.143290 195.7
[M+HCOO]- 490.144231 222.0
[M+CH3COO]- 504.159881 215.4
[M+Na-2H]- 466.120696 209.3
[M]+ 445.14548142 212.5
[M]- 445.14657858 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.