CID 3053634

3(4h)-quinazolinepropanamide, 4-oxo-2-phenyl-

Structural Information

Molecular Formula
C17H15N3O2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CCC(=O)N
InChI
InChI=1S/C17H15N3O2/c18-15(21)10-11-20-16(12-6-2-1-3-7-12)19-14-9-5-4-8-13(14)17(20)22/h1-9H,10-11H2,(H2,18,21)
InChIKey
DLFRAZUZKYBSTB-UHFFFAOYSA-N
Compound name
3-(4-oxo-2-phenylquinazolin-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.11642 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12370 167.7
[M+Na]+ 316.10564 176.4
[M-H]- 292.10914 172.4
[M+NH4]+ 311.15024 180.6
[M+K]+ 332.07958 170.7
[M+H-H2O]+ 276.11368 157.9
[M+HCOO]- 338.11462 188.2
[M+CH3COO]- 352.13027 178.6
[M+Na-2H]- 314.09109 173.6
[M]+ 293.11587 167.8
[M]- 293.11697 167.8
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.