CID 54524

Amk 245

Structural Information

Molecular Formula
C20H32N2O3
SMILES
CCCCOCC1=CC=CC=C1NC(=O)OCCN2CCCCCC2
InChI
InChI=1S/C20H32N2O3/c1-2-3-15-24-17-18-10-6-7-11-19(18)21-20(23)25-16-14-22-12-8-4-5-9-13-22/h6-7,10-11H,2-5,8-9,12-17H2,1H3,(H,21,23)
InChIKey
XLLZEEPCENSFLK-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)ethyl N-[2-(butoxymethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2413 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.248576 184.0
[M+Na]+ 371.230518 183.5
[M-H]- 347.234024 188.1
[M+NH4]+ 366.275123 194.0
[M+K]+ 387.204458 185.4
[M+H-H2O]+ 331.238560 174.5
[M+HCOO]- 393.239501 201.0
[M+CH3COO]- 407.255151 214.3
[M+Na-2H]- 369.215966 184.3
[M]+ 348.24075142 180.7
[M]- 348.24184858 180.7
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.