CID 43333

Carbanilic acid, o-(pentyloxy)-, 2-(hexahydro-1h-azepin-1-yl)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C20H32N2O3
SMILES
CCCCCOC1=CC=CC=C1NC(=O)OCCN2CCCCCC2
InChI
InChI=1S/C20H32N2O3/c1-2-3-10-16-24-19-12-7-6-11-18(19)21-20(23)25-17-15-22-13-8-4-5-9-14-22/h6-7,11-12H,2-5,8-10,13-17H2,1H3,(H,21,23)
InChIKey
GRSZVCBVLLHHTI-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)ethyl N-(2-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.2413 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.24858 186.2
[M+Na]+ 371.23052 193.3
[M+NH4]+ 366.27512 191.4
[M+K]+ 387.20446 187.8
[M-H]- 347.23402 188.4
[M+Na-2H]- 369.21597 190.4
[M]+ 348.24075 187.5
[M]- 348.24185 187.5
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.