CID 6447505

N-(2-(3,4-dimethoxyphenyl)ethyl)-2-methyl-3-(4-nitrophenyl)-2-propenamide

Structural Information

Molecular Formula
C20H22N2O5
SMILES
C/C(=C\C1=CC=C(C=C1)[N+](=O)[O-])/C(=O)NCCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C20H22N2O5/c1-14(12-15-4-7-17(8-5-15)22(24)25)20(23)21-11-10-16-6-9-18(26-2)19(13-16)27-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,23)/b14-12+
InChIKey
GPHWZTBLBWGAJN-WYMLVPIESA-N
Compound name
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(4-nitrophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.15286 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16014 188.6
[M+Na]+ 393.14208 192.2
[M-H]- 369.14558 194.7
[M+NH4]+ 388.18668 199.2
[M+K]+ 409.11602 185.2
[M+H-H2O]+ 353.15012 183.9
[M+HCOO]- 415.15106 211.7
[M+CH3COO]- 429.16671 214.3
[M+Na-2H]- 391.12753 190.7
[M]+ 370.15231 190.1
[M]- 370.15341 190.1
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.