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]+ 446.153306 208.2
[M+Na]+ 468.135248 216.8
[M-H]- 444.138754 216.3
[M+NH4]+ 463.179853 215.6
[M+K]+ 484.109188 209.4
[M+H-H2O]+ 428.143290 196.7
[M+HCOO]- 490.144231 222.8
[M+CH3COO]- 504.159881 216.6
[M+Na-2H]- 466.120696 209.3
[M]+ 445.14548142 213.7
[M]- 445.14657858 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.