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]+ 310.18016 176.6
[M+Na]+ 332.16210 181.1
[M-H]- 308.16560 183.7
[M+NH4]+ 327.20670 191.3
[M+K]+ 348.13604 177.5
[M+H-H2O]+ 292.17014 167.6
[M+HCOO]- 354.17108 200.3
[M+CH3COO]- 368.18673 211.3
[M+Na-2H]- 330.14755 179.0
[M]+ 309.17233 179.3
[M]- 309.17343 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.