CID 3065449

Brn 5622120

Structural Information

Molecular Formula
C16H12N4O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H12N4O4/c21-15(18-11-4-3-5-12(8-11)20(23)24)9-19-10-17-14-7-2-1-6-13(14)16(19)22/h1-8,10H,9H2,(H,18,21)
InChIKey
UQFMSYDQKLRBHG-UHFFFAOYSA-N
Compound name
N-(3-nitrophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.08585 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09313 169.3
[M+Na]+ 347.07507 176.0
[M-H]- 323.07857 174.6
[M+NH4]+ 342.11967 179.8
[M+K]+ 363.04901 167.5
[M+H-H2O]+ 307.08311 163.5
[M+HCOO]- 369.08405 191.6
[M+CH3COO]- 383.09970 203.6
[M+Na-2H]- 345.06052 178.8
[M]+ 324.08530 168.4
[M]- 324.08640 168.4
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.