CID 39200

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

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CCCOC1=CC=C(C=C1)NC(=O)OC(C)CN2CCCC2
InChI
InChI=1S/C17H26N2O3/c1-3-12-21-16-8-6-15(7-9-16)18-17(20)22-14(2)13-19-10-4-5-11-19/h6-9,14H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKey
DYMAFNYSFMPOEL-UHFFFAOYSA-N
Compound name
1-pyrrolidin-1-ylpropan-2-yl N-(4-propoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.19434 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 175.6
[M+Na]+ 329.18356 183.8
[M+NH4]+ 324.22816 181.7
[M+K]+ 345.15750 180.0
[M-H]- 305.18706 177.4
[M+Na-2H]- 327.16901 179.6
[M]+ 306.19379 176.8
[M]- 306.19489 176.8
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.