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]+ 335.23293 184.3
[M+Na]+ 357.21487 186.1
[M-H]- 333.21837 188.0
[M+NH4]+ 352.25947 197.6
[M+K]+ 373.18881 183.6
[M+H-H2O]+ 317.22291 175.0
[M+HCOO]- 379.22385 203.4
[M+CH3COO]- 393.23950 211.8
[M+Na-2H]- 355.20032 182.7
[M]+ 334.22510 185.3
[M]- 334.22620 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.