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 200.0
[M+Na]+ 478.01542 210.4
[M-H]- 454.01892 207.5
[M+NH4]+ 473.06002 208.6
[M+K]+ 493.98936 201.4
[M+H-H2O]+ 438.02346 190.5
[M+HCOO]- 500.02440 206.2
[M+CH3COO]- 514.04005 208.7
[M+Na-2H]- 476.00087 202.4
[M]+ 455.02565 206.8
[M]- 455.02675 206.8
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.