CID 3616262

N,n-dibutyl-3-chlorobenzamide

Structural Information

Molecular Formula
C15H22ClNO
SMILES
CCCCN(CCCC)C(=O)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C15H22ClNO/c1-3-5-10-17(11-6-4-2)15(18)13-8-7-9-14(16)12-13/h7-9,12H,3-6,10-11H2,1-2H3
InChIKey
JLDSMQQVXJCIOM-UHFFFAOYSA-N
Compound name
N,N-dibutyl-3-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.13898 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14626 163.5
[M+Na]+ 290.12820 175.6
[M+NH4]+ 285.17280 171.7
[M+K]+ 306.10214 167.5
[M-H]- 266.13170 166.3
[M+Na-2H]- 288.11365 169.5
[M]+ 267.13843 166.3
[M]- 267.13953 166.3
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.