CID 480104

Chembl134266

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CC(=CCON1C2=C(C=CC(=C2)OC)N=C1C=C(C)C)C
InChI
InChI=1S/C17H22N2O2/c1-12(2)8-9-21-19-16-11-14(20-5)6-7-15(16)18-17(19)10-13(3)4/h6-8,10-11H,9H2,1-5H3
InChIKey
SKZCCSSBDMWFPP-UHFFFAOYSA-N
Compound name
6-methoxy-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

286.16812 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 169.7
[M+Na]+ 309.15734 178.8
[M-H]- 285.16084 172.0
[M+NH4]+ 304.20194 186.3
[M+K]+ 325.13128 174.8
[M+H-H2O]+ 269.16538 162.0
[M+HCOO]- 331.16632 189.8
[M+CH3COO]- 345.18197 204.0
[M+Na-2H]- 307.14279 170.7
[M]+ 286.16757 175.7
[M]- 286.16867 175.7
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.