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 180.2
[M+Na]+ 371.07690 186.8
[M-H]- 347.08040 186.8
[M+NH4]+ 366.12150 193.1
[M+K]+ 387.05084 178.2
[M+H-H2O]+ 331.08494 177.4
[M+HCOO]- 393.08588 200.5
[M+CH3COO]- 407.10153 208.9
[M+Na-2H]- 369.06235 183.5
[M]+ 348.08713 183.6
[M]- 348.08823 183.6
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.