CID 1051824

473628-87-4

Structural Information

Molecular Formula
C24H21N3O2S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4C
InChI
InChI=1S/C24H21N3O2S/c1-16-11-13-18(14-12-16)27-23(29)19-8-4-6-10-21(19)26-24(27)30-15-22(28)25-20-9-5-3-7-17(20)2/h3-14H,15H2,1-2H3,(H,25,28)
InChIKey
UASXTQFAAULBOM-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.13544 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.14272 198.5
[M+Na]+ 438.12466 215.6
[M+NH4]+ 433.16926 206.2
[M+K]+ 454.09860 204.0
[M-H]- 414.12816 205.7
[M+Na-2H]- 436.11011 208.8
[M]+ 415.13489 203.7
[M]- 415.13599 203.7
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.