CID 2440123

2-(4-butylcyclohexyl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C17H24N2
SMILES
CCCCC1CCC(CC1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C17H24N2/c1-2-3-6-13-9-11-14(12-10-13)17-18-15-7-4-5-8-16(15)19-17/h4-5,7-8,13-14H,2-3,6,9-12H2,1H3,(H,18,19)
InChIKey
WYKWPBSQOOZOLI-UHFFFAOYSA-N
Compound name
2-(4-butylcyclohexyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.19394 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.20122 162.6
[M+Na]+ 279.18316 168.7
[M-H]- 255.18666 165.3
[M+NH4]+ 274.22776 178.9
[M+K]+ 295.15710 162.6
[M+H-H2O]+ 239.19120 153.8
[M+HCOO]- 301.19214 179.5
[M+CH3COO]- 315.20779 172.8
[M+Na-2H]- 277.16861 165.2
[M]+ 256.19339 159.3
[M]- 256.19449 159.3
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.