CID 43327

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

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CCCCOC1=CC=CC=C1NC(=O)OCCN2CCCCCC2
InChI
InChI=1S/C19H30N2O3/c1-2-3-15-23-18-11-7-6-10-17(18)20-19(22)24-16-14-21-12-8-4-5-9-13-21/h6-7,10-11H,2-5,8-9,12-16H2,1H3,(H,20,22)
InChIKey
ZNKSDCDGGRGFEU-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)ethyl N-(2-butoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.22565 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.23293 182.0
[M+Na]+ 357.21487 189.2
[M+NH4]+ 352.25947 187.3
[M+K]+ 373.18881 184.0
[M-H]- 333.21837 184.2
[M+Na-2H]- 355.20032 186.4
[M]+ 334.22510 183.3
[M]- 334.22620 183.3
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.