CID 24212819

3-(2-chloro-3-methoxyphenyl)-n-(2-nitrophenyl)propanamide

Structural Information

Molecular Formula
C16H15ClN2O4
SMILES
COC1=CC=CC(=C1Cl)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C16H15ClN2O4/c1-23-14-8-4-5-11(16(14)17)9-10-15(20)18-12-6-2-3-7-13(12)19(21)22/h2-8H,9-10H2,1H3,(H,18,20)
InChIKey
GBMBOTQNTOXEAH-UHFFFAOYSA-N
Compound name
3-(2-chloro-3-methoxyphenyl)-N-(2-nitrophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.07202 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.07930 175.6
[M+Na]+ 357.06124 181.7
[M-H]- 333.06474 182.0
[M+NH4]+ 352.10584 188.7
[M+K]+ 373.03518 173.3
[M+H-H2O]+ 317.06928 172.7
[M+HCOO]- 379.07022 196.2
[M+CH3COO]- 393.08587 204.7
[M+Na-2H]- 355.04669 180.0
[M]+ 334.07147 178.2
[M]- 334.07257 178.2
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.