CID 1051691

380477-54-3

Structural Information

Molecular Formula
C22H15Cl2N3O2S
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H15Cl2N3O2S/c23-14-8-10-17(11-9-14)27-21(29)18-6-1-2-7-19(18)26-22(27)30-13-20(28)25-16-5-3-4-15(24)12-16/h1-12H,13H2,(H,25,28)
InChIKey
YMNOLWRSNISZON-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.0262 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.03348 203.7
[M+Na]+ 478.01542 222.5
[M+NH4]+ 473.06002 212.0
[M+K]+ 493.98936 209.5
[M-H]- 454.01892 210.7
[M+Na-2H]- 476.00087 214.1
[M]+ 455.02565 209.7
[M]- 455.02675 209.7
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.