CID 54528

Amk 265

Structural Information

Molecular Formula
C22H36N2O3
SMILES
CCCCCCOCC1=CC=CC=C1NC(=O)OCCN2CCCCCC2
InChI
InChI=1S/C22H36N2O3/c1-2-3-4-11-17-26-19-20-12-7-8-13-21(20)23-22(25)27-18-16-24-14-9-5-6-10-15-24/h7-8,12-13H,2-6,9-11,14-19H2,1H3,(H,23,25)
InChIKey
NMZBJBVBIZNSFK-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)ethyl N-[2-(hexoxymethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.27258 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.279856 192.4
[M+Na]+ 399.261798 191.0
[M-H]- 375.265304 196.1
[M+NH4]+ 394.306403 201.3
[M+K]+ 415.235738 192.5
[M+H-H2O]+ 359.269840 182.5
[M+HCOO]- 421.270781 208.7
[M+CH3COO]- 435.286431 219.8
[M+Na-2H]- 397.247246 191.7
[M]+ 376.27203142 189.7
[M]- 376.27312858 189.7
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.