CID 3077522

2-((3-(3-chloro-4-methylphenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)thio)acetamide

Structural Information

Molecular Formula
C17H14ClN3O2S
SMILES
CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N)Cl
InChI
InChI=1S/C17H14ClN3O2S/c1-10-6-7-11(8-13(10)18)21-16(23)12-4-2-3-5-14(12)20-17(21)24-9-15(19)22/h2-8H,9H2,1H3,(H2,19,22)
InChIKey
JVQWGLQKZCAXMJ-UHFFFAOYSA-N
Compound name
2-[3-(3-chloro-4-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]+ 360.05681 180.4
[M+Na]+ 382.03875 196.6
[M+NH4]+ 377.08335 188.2
[M+K]+ 398.01269 186.3
[M-H]- 358.04225 184.8
[M+Na-2H]- 380.02420 187.9
[M]+ 359.04898 184.8
[M]- 359.05008 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.