CID 3060529

C 3166

Structural Information

Molecular Formula
C14H21ClN2O
SMILES
CCCCNCCC(=O)NC1=C(C=CC=C1Cl)C
InChI
InChI=1S/C14H21ClN2O/c1-3-4-9-16-10-8-13(18)17-14-11(2)6-5-7-12(14)15/h5-7,16H,3-4,8-10H2,1-2H3,(H,17,18)
InChIKey
CFTUZHOGPUPNLW-UHFFFAOYSA-N
Compound name
3-(butylamino)-N-(2-chloro-6-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.13425 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14153 163.4
[M+Na]+ 291.12347 174.6
[M+NH4]+ 286.16807 171.1
[M+K]+ 307.09741 166.8
[M-H]- 267.12697 166.2
[M+Na-2H]- 289.10892 168.9
[M]+ 268.13370 165.9
[M]- 268.13480 165.9
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.