CID 43327

60558-08-9

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]+ 335.232926 179.7
[M+Na]+ 357.214868 179.6
[M-H]- 333.218374 184.1
[M+NH4]+ 352.259473 190.3
[M+K]+ 373.188808 181.8
[M+H-H2O]+ 317.222910 170.5
[M+HCOO]- 379.223851 197.1
[M+CH3COO]- 393.239501 211.5
[M+Na-2H]- 355.200316 180.6
[M]+ 334.22510142 176.1
[M]- 334.22619858 176.1
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.