CID 1543075

477330-78-2

Structural Information

Molecular Formula
C24H20ClN3O4S
SMILES
COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)OC
InChI
InChI=1S/C24H20ClN3O4S/c1-31-20-12-9-16(13-21(20)32-2)26-22(29)14-33-24-27-19-6-4-3-5-18(19)23(30)28(24)17-10-7-15(25)8-11-17/h3-13H,14H2,1-2H3,(H,26,29)
InChIKey
JXLSKOMWCHGWQI-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.0863 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.09358 212.2
[M+Na]+ 504.07552 229.4
[M+NH4]+ 499.12012 218.9
[M+K]+ 520.04946 218.1
[M-H]- 480.07902 218.5
[M+Na-2H]- 502.06097 221.4
[M]+ 481.08575 217.4
[M]- 481.08685 217.4
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.