CID 24847642

C 5571

Structural Information

Molecular Formula
C16H25ClN2O
SMILES
CCN(CC)CCCCC(=O)NC1=C(C=CC=C1Cl)C
InChI
InChI=1S/C16H25ClN2O/c1-4-19(5-2)12-7-6-11-15(20)18-16-13(3)9-8-10-14(16)17/h8-10H,4-7,11-12H2,1-3H3,(H,18,20)
InChIKey
RILLODMYLBLUSX-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-5-(diethylamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.16553 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17281 173.8
[M+Na]+ 319.15475 179.3
[M-H]- 295.15825 178.0
[M+NH4]+ 314.19935 190.4
[M+K]+ 335.12869 175.4
[M+H-H2O]+ 279.16279 167.1
[M+HCOO]- 341.16373 193.4
[M+CH3COO]- 355.17938 213.0
[M+Na-2H]- 317.14020 174.7
[M]+ 296.16498 178.8
[M]- 296.16608 178.8
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.