CID 3088565

118449-22-2

Structural Information

Molecular Formula
C17H14ClN3O2S
SMILES
CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N
InChI
InChI=1S/C17H14ClN3O2S/c1-10-4-2-3-5-14(10)21-16(23)12-7-6-11(18)8-13(12)20-17(21)24-9-15(19)22/h2-8H,9H2,1H3,(H2,19,22)
InChIKey
ZPILZSROAVJILO-UHFFFAOYSA-N
Compound name
2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.04953 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.056806 179.4
[M+Na]+ 382.038748 190.5
[M-H]- 358.042254 184.6
[M+NH4]+ 377.083353 191.7
[M+K]+ 398.012688 182.8
[M+H-H2O]+ 342.046790 171.3
[M+HCOO]- 404.047731 190.3
[M+CH3COO]- 418.063381 189.9
[M+Na-2H]- 380.024196 181.2
[M]+ 359.04898142 184.8
[M]- 359.05007858 184.8
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.