CID 6435269

Cinnamic acid, 4-nitro-alpha-phenyl-, 2-(dimethylamino)ethyl ester, hydrochloride, e-

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]+ 341.149576 181.6
[M+Na]+ 363.131518 184.3
[M-H]- 339.135024 188.6
[M+NH4]+ 358.176123 193.5
[M+K]+ 379.105458 178.1
[M+H-H2O]+ 323.139560 176.8
[M+HCOO]- 385.140501 205.4
[M+CH3COO]- 399.156151 210.2
[M+Na-2H]- 361.116966 184.5
[M]+ 340.14175142 181.9
[M]- 340.14284858 181.9
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.