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]+ 315.108776 167.6
[M+Na]+ 337.090718 171.8
[M-H]- 313.094224 174.0
[M+NH4]+ 332.135323 179.6
[M+K]+ 353.064658 165.1
[M+H-H2O]+ 297.098760 163.4
[M+HCOO]- 359.099701 193.7
[M+CH3COO]- 373.115351 206.8
[M+Na-2H]- 335.076166 172.4
[M]+ 314.10095142 163.7
[M]- 314.10204858 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.