CID 47714

Bk-58

Structural Information

Molecular Formula
C23H38N2O3
SMILES
CCCCCCCOC1=CC=CC=C1NC(=O)OCCCN2CCCCCC2
InChI
InChI=1S/C23H38N2O3/c1-2-3-4-7-12-19-27-22-15-9-8-14-21(22)24-23(26)28-20-13-18-25-16-10-5-6-11-17-25/h8-9,14-15H,2-7,10-13,16-20H2,1H3,(H,24,26)
InChIKey
CZURKGDJRYOTOH-UHFFFAOYSA-N
Compound name
3-(azepan-1-yl)propyl N-(2-heptoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.28824 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.29552 198.8
[M+Na]+ 413.27746 205.3
[M+NH4]+ 408.32206 203.5
[M+K]+ 429.25140 199.2
[M-H]- 389.28096 200.9
[M+Na-2H]- 411.26291 202.2
[M]+ 390.28769 200.0
[M]- 390.28879 200.0
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.