CID 2406608

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

Structural Information

Molecular Formula
C17H14ClN3O2S
SMILES
CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N
InChI
InChI=1S/C17H14ClN3O2S/c1-10-12(18)6-4-8-14(10)21-16(23)11-5-2-3-7-13(11)20-17(21)24-9-15(19)22/h2-8H,9H2,1H3,(H2,19,22)
InChIKey
PMUXYYMTMAKRTP-UHFFFAOYSA-N
Compound name
2-[3-(3-chloro-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]+ 360.05681 179.4
[M+Na]+ 382.03875 190.5
[M-H]- 358.04225 184.6
[M+NH4]+ 377.08335 191.7
[M+K]+ 398.01269 182.8
[M+H-H2O]+ 342.04679 171.3
[M+HCOO]- 404.04773 190.3
[M+CH3COO]- 418.06338 189.9
[M+Na-2H]- 380.02420 181.2
[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.