CID 45051319

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

Structural Information

Molecular Formula
C16H13ClN2O4
SMILES
COC1=CC=CC(=C1Cl)/C=C/C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H13ClN2O4/c1-23-14-7-2-4-11(16(14)17)8-9-15(20)18-12-5-3-6-13(10-12)19(21)22/h2-10H,1H3,(H,18,20)/b9-8+
InChIKey
QANUOYNMLKTFPU-CMDGGOBGSA-N
Compound name
(E)-3-(2-chloro-3-methoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.0564 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.06368 174.9
[M+Na]+ 355.04562 181.4
[M-H]- 331.04912 181.4
[M+NH4]+ 350.09022 188.2
[M+K]+ 371.01956 172.4
[M+H-H2O]+ 315.05366 172.2
[M+HCOO]- 377.05460 195.8
[M+CH3COO]- 391.07025 203.1
[M+Na-2H]- 353.03107 179.4
[M]+ 332.05585 176.8
[M]- 332.05695 176.8
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.