CID 1273448

477333-43-0

Structural Information

Molecular Formula
C25H23N3O4S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)OC)OC
InChI
InChI=1S/C25H23N3O4S/c1-16-8-10-17(11-9-16)28-24(30)19-6-4-5-7-20(19)27-25(28)33-15-23(29)26-21-13-12-18(31-2)14-22(21)32-3/h4-14H,15H2,1-3H3,(H,26,29)
InChIKey
LUIAKRWBQJZPSM-UHFFFAOYSA-N
Compound name
N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.14093 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.14821 211.1
[M+Na]+ 484.13015 219.2
[M-H]- 460.13365 219.1
[M+NH4]+ 479.17475 217.7
[M+K]+ 500.10409 212.7
[M+H-H2O]+ 444.13819 199.4
[M+HCOO]- 506.13913 225.8
[M+CH3COO]- 520.15478 219.2
[M+Na-2H]- 482.11560 212.5
[M]+ 461.14038 217.9
[M]- 461.14148 217.9
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.