CID 212415

24269-61-2

Structural Information

Molecular Formula
C18H37N3O2
SMILES
CC(C)CN(CCN1CCN(CC1)C(=O)OC(C)C)CC(C)C
InChI
InChI=1S/C18H37N3O2/c1-15(2)13-20(14-16(3)4)8-7-19-9-11-21(12-10-19)18(22)23-17(5)6/h15-17H,7-14H2,1-6H3
InChIKey
CCHGXELWSJNUJC-UHFFFAOYSA-N
Compound name
propan-2-yl 4-[2-[bis(2-methylpropyl)amino]ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.28857 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.29585 187.0
[M+Na]+ 350.27779 187.3
[M-H]- 326.28129 187.1
[M+NH4]+ 345.32239 198.5
[M+K]+ 366.25173 187.4
[M+H-H2O]+ 310.28583 178.0
[M+HCOO]- 372.28677 199.9
[M+CH3COO]- 386.30242 219.6
[M+Na-2H]- 348.26324 181.9
[M]+ 327.28802 187.5
[M]- 327.28912 187.5
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.