CID 212429

24269-68-9

Structural Information

Molecular Formula
C18H35N3O4
SMILES
CCCCN(CCN1CCN(CC1)C(=O)OC(C)C)C(=O)OC(C)C
InChI
InChI=1S/C18H35N3O4/c1-6-7-8-20(17(22)24-15(2)3)12-9-19-10-13-21(14-11-19)18(23)25-16(4)5/h15-16H,6-14H2,1-5H3
InChIKey
CTCYJEHBNPKALY-UHFFFAOYSA-N
Compound name
propan-2-yl 4-[2-[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

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.27004 190.9
[M+Na]+ 380.25198 191.3
[M-H]- 356.25548 191.0
[M+NH4]+ 375.29658 201.1
[M+K]+ 396.22592 192.1
[M+H-H2O]+ 340.26002 181.8
[M+HCOO]- 402.26096 204.5
[M+CH3COO]- 416.27661 221.5
[M+Na-2H]- 378.23743 186.2
[M]+ 357.26221 193.4
[M]- 357.26331 193.4
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.