CID 212443

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

Structural Information

Molecular Formula
C20H37N3O4
SMILES
CC(C)OC(=O)N1CCN(CC1)CCN(C2CCCCC2)C(=O)OC(C)C
InChI
InChI=1S/C20H37N3O4/c1-16(2)26-19(24)22-13-10-21(11-14-22)12-15-23(20(25)27-17(3)4)18-8-6-5-7-9-18/h16-18H,5-15H2,1-4H3
InChIKey
SJSVIOKVTGALTE-UHFFFAOYSA-N
Compound name
propan-2-yl 4-[2-[cyclohexyl(propan-2-yloxycarbonyl)amino]ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.2784 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.28568 196.2
[M+Na]+ 406.26762 193.7
[M-H]- 382.27112 198.4
[M+NH4]+ 401.31222 204.4
[M+K]+ 422.24156 194.2
[M+H-H2O]+ 366.27566 186.0
[M+HCOO]- 428.27660 206.1
[M+CH3COO]- 442.29225 224.5
[M+Na-2H]- 404.25307 190.2
[M]+ 383.27785 192.5
[M]- 383.27895 192.5
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.