CID 16217956

890090-63-8

Structural Information

Molecular Formula
C19H32N2O4
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(/C=C/C2CCCCC2)C(=O)O
InChI
InChI=1S/C19H32N2O4/c1-19(2,3)25-18(24)21-13-11-20(12-14-21)16(17(22)23)10-9-15-7-5-4-6-8-15/h9-10,15-16H,4-8,11-14H2,1-3H3,(H,22,23)/b10-9+
InChIKey
ALAMTNODLVYHHG-MDZDMXLPSA-N
Compound name
(E)-4-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]but-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2362 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.24348 186.0
[M+Na]+ 375.22542 191.5
[M+NH4]+ 370.27002 189.7
[M+K]+ 391.19936 188.7
[M-H]- 351.22892 184.5
[M+Na-2H]- 373.21087 186.3
[M]+ 352.23565 185.7
[M]- 352.23675 185.7
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.