CID 54486

Amk 243

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CCCCOCC1=CC=CC=C1NC(=O)OCCN2CCCC2
InChI
InChI=1S/C18H28N2O3/c1-2-3-13-22-15-16-8-4-5-9-17(16)19-18(21)23-14-12-20-10-6-7-11-20/h4-5,8-9H,2-3,6-7,10-15H2,1H3,(H,19,21)
InChIKey
RQDDKOABOSLOLW-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl N-[2-(butoxymethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.217276 179.1
[M+Na]+ 343.199218 181.6
[M-H]- 319.202724 182.9
[M+NH4]+ 338.243823 193.0
[M+K]+ 359.173158 178.8
[M+H-H2O]+ 303.207260 169.8
[M+HCOO]- 365.208201 199.6
[M+CH3COO]- 379.223851 208.0
[M+Na-2H]- 341.184666 179.2
[M]+ 320.20945142 180.4
[M]- 320.21054858 180.4
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.