CID 376415

Nsc657329

Structural Information

Molecular Formula
C22H17N3O2
SMILES
C1=CC=C(C=C1)CC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C22H17N3O2/c26-20(15-16-9-3-1-4-10-16)24-25-21(17-11-5-2-6-12-17)23-19-14-8-7-13-18(19)22(25)27/h1-14H,15H2,(H,24,26)
InChIKey
RXFULMRHBXEHMV-UHFFFAOYSA-N
Compound name
N-(4-oxo-2-phenylquinazolin-3-yl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

355.13208 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13936 184.6
[M+Na]+ 378.12130 192.1
[M-H]- 354.12480 192.3
[M+NH4]+ 373.16590 194.3
[M+K]+ 394.09524 185.0
[M+H-H2O]+ 338.12934 172.6
[M+HCOO]- 400.13028 204.9
[M+CH3COO]- 414.14593 194.1
[M+Na-2H]- 376.10675 191.2
[M]+ 355.13153 184.2
[M]- 355.13263 184.2
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

patents stripe