CID 212439

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

Structural Information

Molecular Formula
C19H37N3O4
SMILES
CC(C)CCN(CCN1CCN(CC1)C(=O)OC(C)C)C(=O)OC(C)C
InChI
InChI=1S/C19H37N3O4/c1-15(2)7-8-21(18(23)25-16(3)4)12-9-20-10-13-22(14-11-20)19(24)26-17(5)6/h15-17H,7-14H2,1-6H3
InChIKey
QQAOXBLTUFWAOL-UHFFFAOYSA-N
Compound name
propan-2-yl 4-[2-[3-methylbutyl(propan-2-yloxycarbonyl)amino]ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.2784 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.28568 191.5
[M+Na]+ 394.26762 195.9
[M+NH4]+ 389.31222 194.4
[M+K]+ 410.24156 194.0
[M-H]- 370.27112 189.2
[M+Na-2H]- 392.25307 190.2
[M]+ 371.27785 190.7
[M]- 371.27895 190.7
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.