CID 50268

Bk-64

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CCCCCOC1=CC=CC=C1NC(=O)OCCCN2CCCC2
InChI
InChI=1S/C19H30N2O3/c1-2-3-8-15-23-18-11-5-4-10-17(18)20-19(22)24-16-9-14-21-12-6-7-13-21/h4-5,10-11H,2-3,6-9,12-16H2,1H3,(H,20,22)
InChIKey
TYWYLONZTCCKTC-UHFFFAOYSA-N
Compound name
3-pyrrolidin-1-ylpropyl N-(2-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.22565 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.232926 183.6
[M+Na]+ 357.214868 185.6
[M-H]- 333.218374 187.1
[M+NH4]+ 352.259473 196.9
[M+K]+ 373.188808 182.6
[M+H-H2O]+ 317.222910 174.1
[M+HCOO]- 379.223851 203.7
[M+CH3COO]- 393.239501 211.0
[M+Na-2H]- 355.200316 183.1
[M]+ 334.22510142 185.2
[M]- 334.22619858 185.2
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.