CID 212490

1-piperazinecarboxylic acid, 4-(2-(carboxyisobutylamino)ethyl)-, diisopropyl ester, hydrochloride

Structural Information

Molecular Formula
C18H35N3O4
SMILES
CC(C)CN(CCN1CCN(CC1)C(=O)OC(C)C)C(=O)OC(C)C
InChI
InChI=1S/C18H35N3O4/c1-14(2)13-21(18(23)25-16(5)6)12-9-19-7-10-20(11-8-19)17(22)24-15(3)4/h14-16H,7-13H2,1-6H3
InChIKey
FUMYFJHPRDSWCS-UHFFFAOYSA-N
Compound name
propan-2-yl 4-[2-[2-methylpropyl(propan-2-yloxycarbonyl)amino]ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.26276 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.27004 187.3
[M+Na]+ 380.25198 191.9
[M+NH4]+ 375.29658 190.3
[M+K]+ 396.22592 190.3
[M-H]- 356.25548 185.0
[M+Na-2H]- 378.23743 186.3
[M]+ 357.26221 186.6
[M]- 357.26331 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.