CID 1962206

577988-18-2

Structural Information

Molecular Formula
C24H20ClN3O3S
SMILES
CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC)Cl
InChI
InChI=1S/C24H20ClN3O3S/c1-15-7-8-16(13-20(15)25)26-22(29)14-32-24-27-21-6-4-3-5-19(21)23(30)28(24)17-9-11-18(31-2)12-10-17/h3-13H,14H2,1-2H3,(H,26,29)
InChIKey
CSAZETONFZOEJP-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.0914 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.098676 208.5
[M+Na]+ 488.080618 218.2
[M-H]- 464.084124 216.7
[M+NH4]+ 483.125223 216.2
[M+K]+ 504.054558 210.1
[M+H-H2O]+ 448.088660 198.0
[M+HCOO]- 510.089601 219.0
[M+CH3COO]- 524.105251 217.1
[M+Na-2H]- 486.066066 209.9
[M]+ 465.09085142 216.2
[M]- 465.09194858 216.2
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.