CID 39204

(4-(pentyloxy)phenyl)carbamic acid 1-methyl-2-(1-pyrrolidinyl)ethyl ester hydrochloride

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CCCCCOC1=CC=C(C=C1)NC(=O)OC(C)CN2CCCC2
InChI
InChI=1S/C19H30N2O3/c1-3-4-7-14-23-18-10-8-17(9-11-18)20-19(22)24-16(2)15-21-12-5-6-13-21/h8-11,16H,3-7,12-15H2,1-2H3,(H,20,22)
InChIKey
NSPRNYFFCDLNSZ-UHFFFAOYSA-N
Compound name
1-pyrrolidin-1-ylpropan-2-yl N-(4-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.22565 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.232926 184.3
[M+Na]+ 357.214868 186.1
[M-H]- 333.218374 188.0
[M+NH4]+ 352.259473 197.6
[M+K]+ 373.188808 183.6
[M+H-H2O]+ 317.222910 175.0
[M+HCOO]- 379.223851 203.4
[M+CH3COO]- 393.239501 211.8
[M+Na-2H]- 355.200316 182.7
[M]+ 334.22510142 185.3
[M]- 334.22619858 185.3
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.