CID 6366135

3,4-dimethoxycinnamic acid 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]+ 308.18562 174.3
[M+Na]+ 330.16756 179.7
[M-H]- 306.17106 178.7
[M+NH4]+ 325.21216 189.8
[M+K]+ 346.14150 178.7
[M+H-H2O]+ 290.17560 166.5
[M+HCOO]- 352.17654 198.1
[M+CH3COO]- 366.19219 212.0
[M+Na-2H]- 328.15301 175.3
[M]+ 307.17779 182.0
[M]- 307.17889 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.