CID 376428

Nsc657342

Structural Information

Molecular Formula
C21H14N4O4
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C21H14N4O4/c26-20(15-10-12-16(13-11-15)25(28)29)23-24-19(14-6-2-1-3-7-14)22-18-9-5-4-8-17(18)21(24)27/h1-13H,(H,23,26)
InChIKey
SZPUZMYOZQNDCW-UHFFFAOYSA-N
Compound name
4-nitro-N-(4-oxo-2-phenylquinazolin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

386.1015 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10878 187.3
[M+Na]+ 409.09072 193.2
[M-H]- 385.09422 195.4
[M+NH4]+ 404.13532 194.6
[M+K]+ 425.06466 183.4
[M+H-H2O]+ 369.09876 179.5
[M+HCOO]- 431.09970 208.6
[M+CH3COO]- 445.11535 216.1
[M+Na-2H]- 407.07617 195.8
[M]+ 386.10095 185.5
[M]- 386.10205 185.5
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.