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
1
Annotation Hits

0
References

24
Patents

364.16342 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17070 184.5
[M+Na]+ 387.15264 189.1
[M-H]- 363.15614 186.3
[M+NH4]+ 382.19724 193.2
[M+K]+ 403.12658 186.9
[M+H-H2O]+ 347.16068 175.0
[M+HCOO]- 409.16162 198.7
[M+CH3COO]- 423.17727 213.6
[M+Na-2H]- 385.13809 182.5
[M]+ 364.16287 186.6
[M]- 364.16397 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

No patent data available for this compound.