CID 2176144

N-(2-methoxy-5-nitrophenyl)propanamide

Structural Information

Molecular Formula
C10H12N2O4
SMILES
CCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC
InChI
InChI=1S/C10H12N2O4/c1-3-10(13)11-8-6-7(12(14)15)4-5-9(8)16-2/h4-6H,3H2,1-2H3,(H,11,13)
InChIKey
CJCQWDHRTPGELY-UHFFFAOYSA-N
Compound name
N-(2-methoxy-5-nitrophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

70
Patents

224.07971 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08699 146.5
[M+Na]+ 247.06893 158.1
[M+NH4]+ 242.11353 153.3
[M+K]+ 263.04287 155.8
[M-H]- 223.07243 149.1
[M+Na-2H]- 245.05438 151.6
[M]+ 224.07916 148.5
[M]- 224.08026 148.5
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