CID 499831

2-pyrrolidin-1-ylethyl n-(4-octoxyphenyl)carbamate

Structural Information

Molecular Formula
C21H34N2O3
SMILES
CCCCCCCCOC1=CC=C(C=C1)NC(=O)OCCN2CCCC2
InChI
InChI=1S/C21H34N2O3/c1-2-3-4-5-6-9-17-25-20-12-10-19(11-13-20)22-21(24)26-18-16-23-14-7-8-15-23/h10-13H,2-9,14-18H2,1H3,(H,22,24)
InChIKey
HRMMTBRGGYQYDB-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl N-(4-octoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

362.25696 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.26424 192.4
[M+Na]+ 385.24618 193.5
[M-H]- 361.24968 195.5
[M+NH4]+ 380.29078 204.5
[M+K]+ 401.22012 190.0
[M+H-H2O]+ 345.25422 182.5
[M+HCOO]- 407.25516 211.8
[M+CH3COO]- 421.27081 216.9
[M+Na-2H]- 383.23163 190.9
[M]+ 362.25641 194.7
[M]- 362.25751 194.7
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.