CID 6435264

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

Structural Information

Molecular Formula
C20H23NO3
SMILES
CN(C)CCOC(=O)/C(=C/C1=CC=C(C=C1)OC)/C2=CC=CC=C2
InChI
InChI=1S/C20H23NO3/c1-21(2)13-14-24-20(22)19(17-7-5-4-6-8-17)15-16-9-11-18(23-3)12-10-16/h4-12,15H,13-14H2,1-3H3/b19-15+
InChIKey
CDWSBFKOMDXYFT-XDJHFCHBSA-N
Compound name
2-(dimethylamino)ethyl (E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 179.8
[M+Na]+ 348.15702 183.9
[M-H]- 324.16052 187.0
[M+NH4]+ 343.20162 193.6
[M+K]+ 364.13096 181.6
[M+H-H2O]+ 308.16506 170.7
[M+HCOO]- 370.16600 202.7
[M+CH3COO]- 384.18165 214.2
[M+Na-2H]- 346.14247 181.1
[M]+ 325.16725 183.3
[M]- 325.16835 183.3
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.