CID 3060764

78265-91-5

Structural Information

Molecular Formula
C17H25ClN2O
SMILES
CCCCC(C(=O)NC1=C(C=CC=C1Cl)C)N2CCCC2
InChI
InChI=1S/C17H25ClN2O/c1-3-4-10-15(20-11-5-6-12-20)17(21)19-16-13(2)8-7-9-14(16)18/h7-9,15H,3-6,10-12H2,1-2H3,(H,19,21)
InChIKey
JSFKACIDDOTYLB-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.16553 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.17281 175.1
[M+Na]+ 331.15475 185.5
[M+NH4]+ 326.19935 182.7
[M+K]+ 347.12869 179.9
[M-H]- 307.15825 178.1
[M+Na-2H]- 329.14020 179.9
[M]+ 308.16498 177.5
[M]- 308.16608 177.5
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.