CID 212463

1-piperazinecarboxylic acid, 4-(2-(carboxyisopropylamino)ethyl)-, dicyclohexyl ester, hydrochloride

Structural Information

Molecular Formula
C23H41N3O4
SMILES
CC(C)N(CCN1CCN(CC1)C(=O)OC2CCCCC2)C(=O)OC3CCCCC3
InChI
InChI=1S/C23H41N3O4/c1-19(2)26(23(28)30-21-11-7-4-8-12-21)18-15-24-13-16-25(17-14-24)22(27)29-20-9-5-3-6-10-20/h19-21H,3-18H2,1-2H3
InChIKey
RCDXXDREDMSMBS-UHFFFAOYSA-N
Compound name
cyclohexyl 4-[2-[cyclohexyloxycarbonyl(propan-2-yl)amino]ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.3097 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.31698 205.9
[M+Na]+ 446.29892 200.2
[M-H]- 422.30242 209.5
[M+NH4]+ 441.34352 211.4
[M+K]+ 462.27286 199.6
[M+H-H2O]+ 406.30696 194.0
[M+HCOO]- 468.30790 212.5
[M+CH3COO]- 482.32355 229.7
[M+Na-2H]- 444.28437 199.0
[M]+ 423.30915 196.7
[M]- 423.31025 196.7
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.