CID 39200

Carbamic acid, (4-propoxyphenyl)-, 1-methyl-2-(1-pyrrolidinyl)ethyl ester, monohydrochloride

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]+ 307.201616 175.3
[M+Na]+ 329.183558 178.0
[M-H]- 305.187064 179.4
[M+NH4]+ 324.228163 189.8
[M+K]+ 345.157498 176.0
[M+H-H2O]+ 289.191600 166.4
[M+HCOO]- 351.192541 195.1
[M+CH3COO]- 365.208191 205.9
[M+Na-2H]- 327.169006 174.7
[M]+ 306.19379142 175.7
[M]- 306.19488858 175.7
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.