CID 1287316

477330-11-3

Structural Information

Molecular Formula
C24H20ClN3O3S
SMILES
CCOC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H20ClN3O3S/c1-2-31-21-10-6-5-9-20(21)26-22(29)15-32-24-27-19-8-4-3-7-18(19)23(30)28(24)17-13-11-16(25)12-14-17/h3-14H,2,15H2,1H3,(H,26,29)
InChIKey
WYAHOEIKLMWVDR-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
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 207.6
[M+Na]+ 488.080618 216.5
[M-H]- 464.084124 215.5
[M+NH4]+ 483.125223 215.0
[M+K]+ 504.054558 208.4
[M+H-H2O]+ 448.088660 196.9
[M+HCOO]- 510.089601 218.2
[M+CH3COO]- 524.105251 215.9
[M+Na-2H]- 486.066066 209.8
[M]+ 465.09085142 214.9
[M]- 465.09194858 214.9
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.