CID 499807

2-pyrrolidin-1-ylethyl n-(3-butoxyphenyl)carbamate

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CCCCOC1=CC=CC(=C1)NC(=O)OCCN2CCCC2
InChI
InChI=1S/C17H26N2O3/c1-2-3-12-21-16-8-6-7-15(14-16)18-17(20)22-13-11-19-9-4-5-10-19/h6-8,14H,2-5,9-13H2,1H3,(H,18,20)
InChIKey
RNWVCFHAZWJFME-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl N-(3-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]+ 307.20162 174.7
[M+Na]+ 329.18356 177.6
[M-H]- 305.18706 178.6
[M+NH4]+ 324.22816 189.2
[M+K]+ 345.15750 175.0
[M+H-H2O]+ 289.19160 165.6
[M+HCOO]- 351.19254 195.5
[M+CH3COO]- 365.20819 205.0
[M+Na-2H]- 327.16901 175.3
[M]+ 306.19379 175.6
[M]- 306.19489 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.