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 190.1
[M+Na]+ 380.25198 190.5
[M-H]- 356.25548 190.5
[M+NH4]+ 375.29658 200.3
[M+K]+ 396.22592 191.8
[M+H-H2O]+ 340.26002 181.3
[M+HCOO]- 402.26096 202.8
[M+CH3COO]- 416.27661 222.5
[M+Na-2H]- 378.23743 184.4
[M]+ 357.26221 192.1
[M]- 357.26331 192.1
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.