CID 212433

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

Structural Information

Molecular Formula
C18H35N3O4
SMILES
CC(C)OC(=O)N1CCN(CC1)CCN(C(=O)OC(C)C)C(C)(C)C
InChI
InChI=1S/C18H35N3O4/c1-14(2)24-16(22)20-11-8-19(9-12-20)10-13-21(18(5,6)7)17(23)25-15(3)4/h14-15H,8-13H2,1-7H3
InChIKey
TZMQDUYQKUHVLX-UHFFFAOYSA-N
Compound name
propan-2-yl 4-[2-[tert-butyl(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

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.27004 188.9
[M+Na]+ 380.25198 189.9
[M-H]- 356.25548 189.5
[M+NH4]+ 375.29658 199.4
[M+K]+ 396.22592 191.3
[M+H-H2O]+ 340.26002 180.8
[M+HCOO]- 402.26096 201.0
[M+CH3COO]- 416.27661 221.3
[M+Na-2H]- 378.23743 185.5
[M]+ 357.26221 191.0
[M]- 357.26331 191.0
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.