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 210.0
[M+Na]+ 484.13015 226.2
[M+NH4]+ 479.17475 216.3
[M+K]+ 500.10409 215.6
[M-H]- 460.13365 216.2
[M+Na-2H]- 482.11560 219.0
[M]+ 461.14038 214.7
[M]- 461.14148 214.7
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.