CID 507386

1-allyl-2-(2-fluorophenyl)-4-methoxy-benzimidazole

Structural Information

Molecular Formula
C17H15FN2O
SMILES
COC1=CC=CC2=C1N=C(N2CC=C)C3=CC=CC=C3F
InChI
InChI=1S/C17H15FN2O/c1-3-11-20-14-9-6-10-15(21-2)16(14)19-17(20)12-7-4-5-8-13(12)18/h3-10H,1,11H2,2H3
InChIKey
KASRPYRVADFZKH-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-4-methoxy-1-prop-2-enylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.11685 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12413 164.1
[M+Na]+ 305.10607 175.8
[M-H]- 281.10957 168.8
[M+NH4]+ 300.15067 180.7
[M+K]+ 321.08001 169.4
[M+H-H2O]+ 265.11411 154.5
[M+HCOO]- 327.11505 186.1
[M+CH3COO]- 341.13070 176.7
[M+Na-2H]- 303.09152 168.2
[M]+ 282.11630 167.4
[M]- 282.11740 167.4
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.