CID 6435258

E-4-methoxy-alpha-(p-nitrophenyl)cinnamic acid 2-(dimethylamino)ethyl ester hydrochloride

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]+ 371.16014 188.9
[M+Na]+ 393.14208 191.8
[M-H]- 369.14558 196.0
[M+NH4]+ 388.18668 199.7
[M+K]+ 409.11602 186.1
[M+H-H2O]+ 353.15012 183.9
[M+HCOO]- 415.15106 212.5
[M+CH3COO]- 429.16671 216.4
[M+Na-2H]- 391.12753 190.8
[M]+ 370.15231 191.2
[M]- 370.15341 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.