CID 6366135

Cinnamic acid, 3,4-dimethoxy-, 2-(diethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C17H25NO4
SMILES
CCN(CC)CCOC(=O)/C=C/C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C17H25NO4/c1-5-18(6-2)11-12-22-17(19)10-8-14-7-9-15(20-3)16(13-14)21-4/h7-10,13H,5-6,11-12H2,1-4H3/b10-8+
InChIKey
PLGXEGAACAQDMF-CSKARUKUSA-N
Compound name
2-(diethylamino)ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.17834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.185616 174.3
[M+Na]+ 330.167558 179.7
[M-H]- 306.171064 178.7
[M+NH4]+ 325.212163 189.8
[M+K]+ 346.141498 178.7
[M+H-H2O]+ 290.175600 166.5
[M+HCOO]- 352.176541 198.1
[M+CH3COO]- 366.192191 212.0
[M+Na-2H]- 328.153006 175.3
[M]+ 307.17779142 182.0
[M]- 307.17888858 182.0
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.