CID 6447505

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

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]+ 371.160136 188.6
[M+Na]+ 393.142078 192.2
[M-H]- 369.145584 194.7
[M+NH4]+ 388.186683 199.2
[M+K]+ 409.116018 185.2
[M+H-H2O]+ 353.150120 183.9
[M+HCOO]- 415.151061 211.7
[M+CH3COO]- 429.166711 214.3
[M+Na-2H]- 391.127526 190.7
[M]+ 370.15231142 190.1
[M]- 370.15340858 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.