CID 1543072

477329-26-3

Structural Information

Molecular Formula
C24H20ClN3O4S
SMILES
COC1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)OC
InChI
InChI=1S/C24H20ClN3O4S/c1-31-18-11-16(12-19(13-18)32-2)26-22(29)14-33-24-27-21-6-4-3-5-20(21)23(30)28(24)17-9-7-15(25)8-10-17/h3-13H,14H2,1-2H3,(H,26,29)
InChIKey
TVKJTFSVSHDHBA-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-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 211.0
[M+Na]+ 504.07552 220.3
[M-H]- 480.07902 219.2
[M+NH4]+ 499.12012 217.9
[M+K]+ 520.04946 213.1
[M+H-H2O]+ 464.08356 200.2
[M+HCOO]- 526.08450 221.7
[M+CH3COO]- 540.10015 219.3
[M+Na-2H]- 502.06097 212.7
[M]+ 481.08575 220.0
[M]- 481.08685 220.0
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.