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]+ 285.123376 164.7
[M+Na]+ 307.105318 170.6
[M-H]- 283.108824 171.6
[M+NH4]+ 302.149923 179.2
[M+K]+ 323.079258 163.1
[M+H-H2O]+ 267.113360 161.2
[M+HCOO]- 329.114301 189.8
[M+CH3COO]- 343.129951 198.9
[M+Na-2H]- 305.090766 169.7
[M]+ 284.11555142 163.7
[M]- 284.11664858 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.