CID 50582

Bk-70

Structural Information

Molecular Formula
C24H40N2O3
SMILES
CCCCCCCCCOC1=CC=CC=C1NC(=O)OCCCN2CCCCC2
InChI
InChI=1S/C24H40N2O3/c1-2-3-4-5-6-7-13-20-28-23-16-10-9-15-22(23)25-24(27)29-21-14-19-26-17-11-8-12-18-26/h9-10,15-16H,2-8,11-14,17-21H2,1H3,(H,25,27)
InChIKey
STFVERWVAHFTMC-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl N-(2-nonoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.3039 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.31118 204.8
[M+Na]+ 427.29312 203.7
[M-H]- 403.29662 206.8
[M+NH4]+ 422.33772 213.2
[M+K]+ 443.26706 199.6
[M+H-H2O]+ 387.30116 193.8
[M+HCOO]- 449.30210 220.9
[M+CH3COO]- 463.31775 226.3
[M+Na-2H]- 425.27857 203.3
[M]+ 404.30335 206.0
[M]- 404.30445 206.0
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.