CID 1576314

3,6-dichloro-n-cyclododecyl-2-methoxybenzamide

Structural Information

Molecular Formula
C20H29Cl2NO2
SMILES
COC1=C(C=CC(=C1C(=O)NC2CCCCCCCCCCC2)Cl)Cl
InChI
InChI=1S/C20H29Cl2NO2/c1-25-19-17(22)14-13-16(21)18(19)20(24)23-15-11-9-7-5-3-2-4-6-8-10-12-15/h13-15H,2-12H2,1H3,(H,23,24)
InChIKey
ZKKHPIXZQSJLLF-UHFFFAOYSA-N
Compound name
3,6-dichloro-N-cyclododecyl-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.15753 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.16481 191.2
[M+Na]+ 408.14675 194.3
[M-H]- 384.15025 193.5
[M+NH4]+ 403.19135 201.0
[M+K]+ 424.12069 188.9
[M+H-H2O]+ 368.15479 187.6
[M+HCOO]- 430.15573 197.7
[M+CH3COO]- 444.17138 212.8
[M+Na-2H]- 406.13220 187.5
[M]+ 385.15698 185.5
[M]- 385.15808 185.5
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.