CID 212425

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

Structural Information

Molecular Formula
C17H33N3O4
SMILES
CC(C)N(CCN1CCN(CC1)C(=O)OC(C)C)C(=O)OC(C)C
InChI
InChI=1S/C17H33N3O4/c1-13(2)20(17(22)24-15(5)6)12-9-18-7-10-19(11-8-18)16(21)23-14(3)4/h13-15H,7-12H2,1-6H3
InChIKey
AQJCYZXUQABFKU-UHFFFAOYSA-N
Compound name
propan-2-yl 4-[2-[propan-2-yl(propan-2-yloxycarbonyl)amino]ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.2471 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.25438 183.1
[M+Na]+ 366.23632 187.9
[M+NH4]+ 361.28092 186.3
[M+K]+ 382.21026 186.5
[M-H]- 342.23982 180.8
[M+Na-2H]- 364.22177 182.3
[M]+ 343.24655 182.4
[M]- 343.24765 182.4
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.