CID 712950

362492-08-8

Structural Information

Molecular Formula
C16H12ClN3O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H12ClN3O2/c17-11-4-3-5-12(8-11)19-15(21)9-20-10-18-14-7-2-1-6-13(14)16(20)22/h1-8,10H,9H2,(H,19,21)
InChIKey
JNZSKVYEGHTPGF-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

313.0618 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.06908 168.5
[M+Na]+ 336.05102 178.4
[M-H]- 312.05452 173.6
[M+NH4]+ 331.09562 181.8
[M+K]+ 352.02496 171.8
[M+H-H2O]+ 296.05906 159.3
[M+HCOO]- 358.06000 185.4
[M+CH3COO]- 372.07565 179.7
[M+Na-2H]- 334.03647 175.5
[M]+ 313.06125 171.5
[M]- 313.06235 171.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.