CID 6435269

Trans-4-nitro-alpha-phenylcinnamic acid 2-(dimethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C19H20N2O4
SMILES
CN(C)CCOC(=O)/C(=C/C1=CC=C(C=C1)[N+](=O)[O-])/C2=CC=CC=C2
InChI
InChI=1S/C19H20N2O4/c1-20(2)12-13-25-19(22)18(16-6-4-3-5-7-16)14-15-8-10-17(11-9-15)21(23)24/h3-11,14H,12-13H2,1-2H3/b18-14+
InChIKey
DHRZWUWNNUGLPH-NBVRZTHBSA-N
Compound name
2-(dimethylamino)ethyl (E)-3-(4-nitrophenyl)-2-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1423 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14958 179.0
[M+Na]+ 363.13152 191.0
[M+NH4]+ 358.17612 185.3
[M+K]+ 379.10546 187.3
[M-H]- 339.13502 184.0
[M+Na-2H]- 361.11697 186.1
[M]+ 340.14175 181.8
[M]- 340.14285 181.8
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.