CID 696838

134615-88-6

Structural Information

Molecular Formula
C16H12ClN3O2S
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H12ClN3O2S/c17-10-5-7-11(8-6-10)20-15(22)12-3-1-2-4-13(12)19-16(20)23-9-14(18)21/h1-8H,9H2,(H2,18,21)
InChIKey
NEQVAYPFPXEEMP-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.03387 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.04115 174.4
[M+Na]+ 368.02309 185.2
[M-H]- 344.02659 179.5
[M+NH4]+ 363.06769 187.1
[M+K]+ 383.99703 177.7
[M+H-H2O]+ 328.03113 166.4
[M+HCOO]- 390.03207 185.7
[M+CH3COO]- 404.04772 185.1
[M+Na-2H]- 366.00854 177.5
[M]+ 345.03332 179.1
[M]- 345.03442 179.1
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.