CID 311422

Nsc216654

Structural Information

Molecular Formula
C15H14N4O4
SMILES
CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=C2C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C15H14N4O4/c1-9-6-7-10(8-13(9)19(22)23)17-15(21)18-12-5-3-2-4-11(12)14(16)20/h2-8H,1H3,(H2,16,20)(H2,17,18,21)
InChIKey
POULAVWQAGEYSC-UHFFFAOYSA-N
Compound name
2-[(4-methyl-3-nitrophenyl)carbamoylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1015 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10878 167.6
[M+Na]+ 337.09072 171.8
[M-H]- 313.09422 174.0
[M+NH4]+ 332.13532 179.6
[M+K]+ 353.06466 165.1
[M+H-H2O]+ 297.09876 163.4
[M+HCOO]- 359.09970 193.7
[M+CH3COO]- 373.11535 206.8
[M+Na-2H]- 335.07617 172.4
[M]+ 314.10095 163.7
[M]- 314.10205 163.7
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.