CID 507387

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

Structural Information

Molecular Formula
C18H17FN2O
SMILES
CC(=C)CN1C2=C(C(=CC=C2)OC)N=C1C3=CC=CC=C3F
InChI
InChI=1S/C18H17FN2O/c1-12(2)11-21-15-9-6-10-16(22-3)17(15)20-18(21)13-7-4-5-8-14(13)19/h4-10H,1,11H2,2-3H3
InChIKey
SKMQRCBDOJNQFT-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-4-methoxy-1-(2-methylprop-2-enyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.13248 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13976 168.8
[M+Na]+ 319.12170 179.7
[M-H]- 295.12520 173.5
[M+NH4]+ 314.16630 184.7
[M+K]+ 335.09564 173.7
[M+H-H2O]+ 279.12974 159.2
[M+HCOO]- 341.13068 189.5
[M+CH3COO]- 355.14633 180.8
[M+Na-2H]- 317.10715 171.2
[M]+ 296.13193 171.9
[M]- 296.13303 171.9
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.