CID 214195

N,n-di(butan-2-yl)-2,6-dichlorobenzamide

Structural Information

Molecular Formula
C15H21Cl2NO
SMILES
CCC(C)N(C(C)CC)C(=O)C1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C15H21Cl2NO/c1-5-10(3)18(11(4)6-2)15(19)14-12(16)8-7-9-13(14)17/h7-11H,5-6H2,1-4H3
InChIKey
ACZAVKVQOOZHDY-UHFFFAOYSA-N
Compound name
N,N-di(butan-2-yl)-2,6-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.1 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10728 168.1
[M+Na]+ 324.08922 175.0
[M-H]- 300.09272 172.3
[M+NH4]+ 319.13382 185.4
[M+K]+ 340.06316 170.7
[M+H-H2O]+ 284.09726 163.4
[M+HCOO]- 346.09820 180.3
[M+CH3COO]- 360.11385 211.0
[M+Na-2H]- 322.07467 166.6
[M]+ 301.09945 173.7
[M]- 301.10055 173.7
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

patents stripe