CID 349264

N,n-dibutyl-2-chlorobenzamide

Structural Information

Molecular Formula
C15H22ClNO
SMILES
CCCCN(CCCC)C(=O)C1=CC=CC=C1Cl
InChI
InChI=1S/C15H22ClNO/c1-3-5-11-17(12-6-4-2)15(18)13-9-7-8-10-14(13)16/h7-10H,3-6,11-12H2,1-2H3
InChIKey
CNCZJUAKBLINLA-UHFFFAOYSA-N
Compound name
N,N-dibutyl-2-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 164.5
[M+Na]+ 290.12820 170.5
[M-H]- 266.13170 168.7
[M+NH4]+ 285.17280 182.5
[M+K]+ 306.10214 166.8
[M+H-H2O]+ 250.13624 158.2
[M+HCOO]- 312.13718 183.5
[M+CH3COO]- 326.15283 203.9
[M+Na-2H]- 288.11365 166.6
[M]+ 267.13843 169.7
[M]- 267.13953 169.7
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.