CID 29347

Clocanfamide

Structural Information

Molecular Formula
C18H24ClNO2
SMILES
CC1C2CCC(C2)C1CN(CCO)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H24ClNO2/c1-12-14-2-3-15(10-14)17(12)11-20(8-9-21)18(22)13-4-6-16(19)7-5-13/h4-7,12,14-15,17,21H,2-3,8-11H2,1H3
InChIKey
LKJLMYKYKMDEBY-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

321.14957 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15685 181.1
[M+Na]+ 344.13879 186.7
[M-H]- 320.14229 186.7
[M+NH4]+ 339.18339 201.1
[M+K]+ 360.11273 181.6
[M+H-H2O]+ 304.14683 175.8
[M+HCOO]- 366.14777 195.9
[M+CH3COO]- 380.16342 210.1
[M+Na-2H]- 342.12424 178.3
[M]+ 321.14902 183.0
[M]- 321.15012 183.0
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

patents stripe