CID 50270

Bk-65

Structural Information

Molecular Formula
C20H32N2O3
SMILES
CCCCCCOC1=CC=CC=C1NC(=O)OCCCN2CCCC2
InChI
InChI=1S/C20H32N2O3/c1-2-3-4-9-16-24-19-12-6-5-11-18(19)21-20(23)25-17-10-15-22-13-7-8-14-22/h5-6,11-12H,2-4,7-10,13-17H2,1H3,(H,21,23)
InChIKey
NKONCCRAGVVHGW-UHFFFAOYSA-N
Compound name
3-pyrrolidin-1-ylpropyl N-(2-hexoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2413 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.24858 189.2
[M+Na]+ 371.23052 197.1
[M+NH4]+ 366.27512 194.9
[M+K]+ 387.20446 191.8
[M-H]- 347.23402 191.1
[M+Na-2H]- 369.21597 192.7
[M]+ 348.24075 190.4
[M]- 348.24185 190.4
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.