CID 6435258

Cinnamic acid, 4-methoxy-alpha-(p-nitrophenyl)-, 2-(dimethylamino)ethyl ester, hydrochloride, e-

Structural Information

Molecular Formula
C20H22N2O5
SMILES
CN(C)CCOC(=O)/C(=C/C1=CC=C(C=C1)OC)/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C20H22N2O5/c1-21(2)12-13-27-20(23)19(14-15-4-10-18(26-3)11-5-15)16-6-8-17(9-7-16)22(24)25/h4-11,14H,12-13H2,1-3H3/b19-14+
InChIKey
PMAJDALCLNMKMF-XMHGGMMESA-N
Compound name
2-(dimethylamino)ethyl (E)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enoate
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 188.9
[M+Na]+ 393.142078 191.8
[M-H]- 369.145584 196.0
[M+NH4]+ 388.186683 199.7
[M+K]+ 409.116018 186.1
[M+H-H2O]+ 353.150120 183.9
[M+HCOO]- 415.151061 212.5
[M+CH3COO]- 429.166711 216.4
[M+Na-2H]- 391.127526 190.8
[M]+ 370.15231142 191.2
[M]- 370.15340858 191.2
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.