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]+ 466.09868 207.6
[M+Na]+ 488.08062 216.5
[M-H]- 464.08412 215.5
[M+NH4]+ 483.12522 215.0
[M+K]+ 504.05456 208.4
[M+H-H2O]+ 448.08866 196.9
[M+HCOO]- 510.08960 218.2
[M+CH3COO]- 524.10525 215.9
[M+Na-2H]- 486.06607 209.8
[M]+ 465.09085 214.9
[M]- 465.09195 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.