CID 47810

Brn 1260974

Structural Information

Molecular Formula
C17H22N2O3
SMILES
CC1=C(OC2=CC=CC=C12)NC(=O)OCCN3CCCCC3
InChI
InChI=1S/C17H22N2O3/c1-13-14-7-3-4-8-15(14)22-16(13)18-17(20)21-12-11-19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,18,20)
InChIKey
BPSKDYIWQIOVHK-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-(3-methyl-1-benzofuran-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.16306 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 170.3
[M+Na]+ 325.15228 175.8
[M-H]- 301.15578 176.6
[M+NH4]+ 320.19688 185.0
[M+K]+ 341.12622 173.4
[M+H-H2O]+ 285.16032 161.9
[M+HCOO]- 347.16126 190.0
[M+CH3COO]- 361.17691 204.1
[M+Na-2H]- 323.13773 173.8
[M]+ 302.16251 171.1
[M]- 302.16361 171.1
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.