CID 59955637

1-cyclohexyl-2-methyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C14H18N2
SMILES
CC1=NC2=CC=CC=C2N1C3CCCCC3
InChI
InChI=1S/C14H18N2/c1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKey
JKJSHTJRENPKTG-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

214.147 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.15428 149.1
[M+Na]+ 237.13622 163.6
[M+NH4]+ 232.18082 159.1
[M+K]+ 253.11016 156.9
[M-H]- 213.13972 153.6
[M+Na-2H]- 235.12167 157.2
[M]+ 214.14645 152.5
[M]- 214.14755 152.5
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

patents stripe