CID 6443799

Cinepazic acid

Structural Information

Molecular Formula
C18H24N2O6
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)CC(=O)O
InChI
InChI=1S/C18H24N2O6/c1-24-14-10-13(11-15(25-2)18(14)26-3)4-5-16(21)20-8-6-19(7-9-20)12-17(22)23/h4-5,10-11H,6-9,12H2,1-3H3,(H,22,23)/b5-4+
InChIKey
XDCDHIJFRRLVST-SNAWJCMRSA-N
Compound name
2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

364.16342 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.170696 184.5
[M+Na]+ 387.152638 189.1
[M-H]- 363.156144 186.3
[M+NH4]+ 382.197243 193.2
[M+K]+ 403.126578 186.9
[M+H-H2O]+ 347.160680 175.0
[M+HCOO]- 409.161621 198.7
[M+CH3COO]- 423.177271 213.6
[M+Na-2H]- 385.138086 182.5
[M]+ 364.16287142 186.6
[M]- 364.16396858 186.6
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

patents stripe