CID 15766924

2-(azepan-1-yl)ethyl n-(3-octoxyphenyl)carbamate

Structural Information

Molecular Formula
C23H38N2O3
SMILES
CCCCCCCCOC1=CC=CC(=C1)NC(=O)OCCN2CCCCCC2
InChI
InChI=1S/C23H38N2O3/c1-2-3-4-5-8-11-18-27-22-14-12-13-21(20-22)24-23(26)28-19-17-25-15-9-6-7-10-16-25/h12-14,20H,2-11,15-19H2,1H3,(H,24,26)
InChIKey
ZWLQDHGASIUXJA-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)ethyl N-(3-octoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.28824 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.29552 196.5
[M+Na]+ 413.27746 194.8
[M-H]- 389.28096 200.1
[M+NH4]+ 408.32206 204.9
[M+K]+ 429.25140 196.1
[M+H-H2O]+ 373.28550 186.5
[M+HCOO]- 435.28644 212.6
[M+CH3COO]- 449.30209 222.6
[M+Na-2H]- 411.26291 195.4
[M]+ 390.28769 194.2
[M]- 390.28879 194.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.