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 177.0
[M+Na]+ 331.15475 181.6
[M-H]- 307.15825 181.2
[M+NH4]+ 326.19935 192.7
[M+K]+ 347.12869 176.4
[M+H-H2O]+ 291.16279 169.2
[M+HCOO]- 353.16373 191.7
[M+CH3COO]- 367.17938 207.3
[M+Na-2H]- 329.14020 174.9
[M]+ 308.16498 177.1
[M]- 308.16608 177.1
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.