CID 499805

2-pyrrolidin-1-ylethyl n-(2-butoxyphenyl)carbamate

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CCCCOC1=CC=CC=C1NC(=O)OCCN2CCCC2
InChI
InChI=1S/C17H26N2O3/c1-2-3-13-21-16-9-5-4-8-15(16)18-17(20)22-14-12-19-10-6-7-11-19/h4-5,8-9H,2-3,6-7,10-14H2,1H3,(H,18,20)
InChIKey
XTQJWKJGXPIVTO-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl N-(2-butoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
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 174.7
[M+Na]+ 329.183558 177.6
[M-H]- 305.187064 178.6
[M+NH4]+ 324.228163 189.2
[M+K]+ 345.157498 175.0
[M+H-H2O]+ 289.191600 165.6
[M+HCOO]- 351.192541 195.5
[M+CH3COO]- 365.208191 205.0
[M+Na-2H]- 327.169006 175.3
[M]+ 306.19379142 175.6
[M]- 306.19488858 175.6
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.