CID 480100

1-heptyloxy-2-hexyl-4-methylbenzimidazole

Structural Information

Molecular Formula
C21H34N2O
SMILES
CCCCCCCON1C2=CC=CC(=C2N=C1CCCCCC)C
InChI
InChI=1S/C21H34N2O/c1-4-6-8-10-12-17-24-23-19-15-13-14-18(3)21(19)22-20(23)16-11-9-7-5-2/h13-15H,4-12,16-17H2,1-3H3
InChIKey
OYIFMDVEXQWIGO-UHFFFAOYSA-N
Compound name
1-heptoxy-2-hexyl-4-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.26712 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.27440 186.7
[M+Na]+ 353.25634 193.9
[M-H]- 329.25984 187.7
[M+NH4]+ 348.30094 201.6
[M+K]+ 369.23028 188.5
[M+H-H2O]+ 313.26438 177.6
[M+HCOO]- 375.26532 206.7
[M+CH3COO]- 389.28097 215.0
[M+Na-2H]- 351.24179 187.6
[M]+ 330.26657 195.3
[M]- 330.26767 195.3
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.