CID 3088567

Acetamide, ((7-chloro-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-

Structural Information

Molecular Formula
C16H11ClFN3O2S
SMILES
C1=CC(=CC(=C1)F)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N
InChI
InChI=1S/C16H11ClFN3O2S/c17-9-4-5-12-13(6-9)20-16(24-8-14(19)22)21(15(12)23)11-3-1-2-10(18)7-11/h1-7H,8H2,(H2,19,22)
InChIKey
ADJPBTCRXHPUST-UHFFFAOYSA-N
Compound name
2-[7-chloro-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.02444 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.03172 177.0
[M+Na]+ 386.01366 188.7
[M-H]- 362.01716 181.0
[M+NH4]+ 381.05826 189.2
[M+K]+ 401.98760 180.7
[M+H-H2O]+ 346.02170 168.2
[M+HCOO]- 408.02264 187.2
[M+CH3COO]- 422.03829 187.5
[M+Na-2H]- 383.99911 178.8
[M]+ 363.02389 181.2
[M]- 363.02499 181.2
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.