CID 803145

N-(4-ethylphenyl)-2-methyl-3-nitrobenzamide

Structural Information

Molecular Formula
C16H16N2O3
SMILES
CCC1=CC=C(C=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C
InChI
InChI=1S/C16H16N2O3/c1-3-12-7-9-13(10-8-12)17-16(19)14-5-4-6-15(11(14)2)18(20)21/h4-10H,3H2,1-2H3,(H,17,19)
InChIKey
FYAHTBQHIYMUTC-UHFFFAOYSA-N
Compound name
N-(4-ethylphenyl)-2-methyl-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1161 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 164.7
[M+Na]+ 307.10532 170.6
[M-H]- 283.10882 171.6
[M+NH4]+ 302.14992 179.2
[M+K]+ 323.07926 163.1
[M+H-H2O]+ 267.11336 161.2
[M+HCOO]- 329.11430 189.8
[M+CH3COO]- 343.12995 198.9
[M+Na-2H]- 305.09077 169.7
[M]+ 284.11555 163.7
[M]- 284.11665 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.