CID 793757

35709-76-3

Structural Information

Molecular Formula
C15H14N2O3
SMILES
CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C
InChI
InChI=1S/C15H14N2O3/c1-10-4-3-5-14(11(10)2)16-15(18)12-6-8-13(9-7-12)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKey
LEHVMGBGCKQTAN-UHFFFAOYSA-N
Compound name
N-(2,3-dimethylphenyl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

270.10043 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 159.8
[M+Na]+ 293.08965 166.2
[M-H]- 269.09315 166.9
[M+NH4]+ 288.13425 175.0
[M+K]+ 309.06359 159.0
[M+H-H2O]+ 253.09769 156.6
[M+HCOO]- 315.09863 185.3
[M+CH3COO]- 329.11428 195.9
[M+Na-2H]- 291.07510 165.4
[M]+ 270.09988 158.5
[M]- 270.10098 158.5
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