CID 480098

1-butoxy-4-methyl-2-propylbenzimidazole

Structural Information

Molecular Formula
C15H22N2O
SMILES
CCCCON1C2=CC=CC(=C2N=C1CCC)C
InChI
InChI=1S/C15H22N2O/c1-4-6-11-18-17-13-10-7-9-12(3)15(13)16-14(17)8-5-2/h7,9-10H,4-6,8,11H2,1-3H3
InChIKey
ILBDOCHKSDQDFM-UHFFFAOYSA-N
Compound name
1-butoxy-4-methyl-2-propylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 158.9
[M+Na]+ 269.16244 168.9
[M-H]- 245.16594 161.1
[M+NH4]+ 264.20704 177.4
[M+K]+ 285.13638 164.9
[M+H-H2O]+ 229.17048 151.2
[M+HCOO]- 291.17142 181.1
[M+CH3COO]- 305.18707 197.3
[M+Na-2H]- 267.14789 163.2
[M]+ 246.17267 165.5
[M]- 246.17377 165.5
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.