CID 480101

Chembl130364

Structural Information

Molecular Formula
C17H22N2O
SMILES
CC1=C2C(=CC=C1)N(C(=N2)C=C(C)C)OCC=C(C)C
InChI
InChI=1S/C17H22N2O/c1-12(2)9-10-20-19-15-8-6-7-14(5)17(15)18-16(19)11-13(3)4/h6-9,11H,10H2,1-5H3
InChIKey
LMCRWOCEBLBSTB-UHFFFAOYSA-N
Compound name
4-methyl-1-(3-methylbut-2-enoxy)-2-(2-methylprop-1-enyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.17322 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 166.5
[M+Na]+ 293.16244 175.8
[M-H]- 269.16594 168.7
[M+NH4]+ 288.20704 183.9
[M+K]+ 309.13638 171.1
[M+H-H2O]+ 253.17048 158.9
[M+HCOO]- 315.17142 186.4
[M+CH3COO]- 329.18707 201.9
[M+Na-2H]- 291.14789 167.4
[M]+ 270.17267 171.0
[M]- 270.17377 171.0
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.