CID 3060957

78372-21-1

Structural Information

Molecular Formula
C16H23ClN2O
SMILES
CCCC(C(=O)NC1=C(C=CC=C1Cl)C)N2CCCC2
InChI
InChI=1S/C16H23ClN2O/c1-3-7-14(19-10-4-5-11-19)16(20)18-15-12(2)8-6-9-13(15)17/h6,8-9,14H,3-5,7,10-11H2,1-2H3,(H,18,20)
InChIKey
XLZXXGKCMDEJGP-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1499 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15718 172.4
[M+Na]+ 317.13912 177.5
[M-H]- 293.14262 176.9
[M+NH4]+ 312.18372 188.7
[M+K]+ 333.11306 172.5
[M+H-H2O]+ 277.14716 164.8
[M+HCOO]- 339.14810 187.5
[M+CH3COO]- 353.16375 204.3
[M+Na-2H]- 315.12457 170.9
[M]+ 294.14935 172.1
[M]- 294.15045 172.1
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.