CID 499811

2-pyrrolidin-1-ylethyl n-(2-pentoxyphenyl)carbamate

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CCCCCOC1=CC=CC=C1NC(=O)OCCN2CCCC2
InChI
InChI=1S/C18H28N2O3/c1-2-3-8-14-22-17-10-5-4-9-16(17)19-18(21)23-15-13-20-11-6-7-12-20/h4-5,9-10H,2-3,6-8,11-15H2,1H3,(H,19,21)
InChIKey
HYGZRIZAORBPBG-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl N-(2-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

320.21 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.21728 179.1
[M+Na]+ 343.19922 181.6
[M-H]- 319.20272 182.9
[M+NH4]+ 338.24382 193.0
[M+K]+ 359.17316 178.8
[M+H-H2O]+ 303.20726 169.8
[M+HCOO]- 365.20820 199.6
[M+CH3COO]- 379.22385 208.0
[M+Na-2H]- 341.18467 179.2
[M]+ 320.20945 180.4
[M]- 320.21055 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.