CID 59306

N-(3,4-dichlorobenzyl)dodecanamide

Structural Information

Molecular Formula
C19H29Cl2NO
SMILES
CCCCCCCCCCCC(=O)NCC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C19H29Cl2NO/c1-2-3-4-5-6-7-8-9-10-11-19(23)22-15-16-12-13-17(20)18(21)14-16/h12-14H,2-11,15H2,1H3,(H,22,23)
InChIKey
ZOZRRGJVMWHTIA-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.16263 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16991 188.4
[M+Na]+ 380.15185 193.8
[M-H]- 356.15535 189.9
[M+NH4]+ 375.19645 202.7
[M+K]+ 396.12579 186.2
[M+H-H2O]+ 340.15989 182.4
[M+HCOO]- 402.16083 200.4
[M+CH3COO]- 416.17648 217.6
[M+Na-2H]- 378.13730 187.5
[M]+ 357.16208 195.0
[M]- 357.16318 195.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.