CID 115388

Nu-1092

Structural Information

Molecular Formula
C21H38N2O3
SMILES
CCCCN1CCC(=O)C(C1)C2CCN(C(C2)OC(=O)CC)CCCC
InChI
InChI=1S/C21H38N2O3/c1-4-7-11-22-13-10-19(24)18(16-22)17-9-14-23(12-8-5-2)20(15-17)26-21(25)6-3/h17-18,20H,4-16H2,1-3H3
InChIKey
UHUFZSUHUVHYTE-UHFFFAOYSA-N
Compound name
[1-butyl-4-(1-butyl-4-oxopiperidin-3-yl)piperidin-2-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.28824 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.29552 195.8
[M+Na]+ 389.27746 197.0
[M-H]- 365.28096 197.1
[M+NH4]+ 384.32206 205.4
[M+K]+ 405.25140 193.5
[M+H-H2O]+ 349.28550 185.9
[M+HCOO]- 411.28644 206.3
[M+CH3COO]- 425.30209 219.9
[M+Na-2H]- 387.26291 190.3
[M]+ 366.28769 193.5
[M]- 366.28879 193.5
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.