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 185.6
[M+Na]+ 366.23632 186.4
[M-H]- 342.23982 186.1
[M+NH4]+ 361.28092 196.4
[M+K]+ 382.21026 188.0
[M+H-H2O]+ 326.24436 177.0
[M+HCOO]- 388.24530 198.6
[M+CH3COO]- 402.26095 219.6
[M+Na-2H]- 364.22177 180.4
[M]+ 343.24655 187.2
[M]- 343.24765 187.2
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.