CID 6444646

2-stilbenecarboxylic acid, 3-(dimethylamino)propyl ester, hydrochloride

Structural Information

Molecular Formula
C20H23NO2
SMILES
CN(C)CCCOC(=O)C1=CC=CC=C1/C=C/C2=CC=CC=C2
InChI
InChI=1S/C20H23NO2/c1-21(2)15-8-16-23-20(22)19-12-7-6-11-18(19)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3/b14-13+
InChIKey
UKCIBDKDSNQXNB-BUHFOSPRSA-N
Compound name
3-(dimethylamino)propyl 2-[(E)-2-phenylethenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.17288 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.180156 176.6
[M+Na]+ 332.162098 181.1
[M-H]- 308.165604 183.7
[M+NH4]+ 327.206703 191.3
[M+K]+ 348.136038 177.5
[M+H-H2O]+ 292.170140 167.6
[M+HCOO]- 354.171081 200.3
[M+CH3COO]- 368.186731 211.3
[M+Na-2H]- 330.147546 179.0
[M]+ 309.17233142 179.3
[M]- 309.17342858 179.3
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.