CID 24212672

3-(3-chloro-4-methoxyphenyl)-n-(2-methyl-6-nitrophenyl)propanamide

Structural Information

Molecular Formula
C17H17ClN2O4
SMILES
CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CCC2=CC(=C(C=C2)OC)Cl
InChI
InChI=1S/C17H17ClN2O4/c1-11-4-3-5-14(20(22)23)17(11)19-16(21)9-7-12-6-8-15(24-2)13(18)10-12/h3-6,8,10H,7,9H2,1-2H3,(H,19,21)
InChIKey
NOAVJAYTUDEMPP-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methoxyphenyl)-N-(2-methyl-6-nitrophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.08768 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.09496 178.3
[M+Na]+ 371.07690 192.8
[M+NH4]+ 366.12150 185.4
[M+K]+ 387.05084 187.9
[M-H]- 347.08040 183.7
[M+Na-2H]- 369.06235 185.4
[M]+ 348.08713 182.1
[M]- 348.08823 182.1
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.