CID 507388

1-but-2-enyl-2-(2-fluorophenyl)-4-methoxy-benzimidazole

Structural Information

Molecular Formula
C18H17FN2O
SMILES
CC=CCN1C2=C(C(=CC=C2)OC)N=C1C3=CC=CC=C3F
InChI
InChI=1S/C18H17FN2O/c1-3-4-12-21-15-10-7-11-16(22-2)17(15)20-18(21)13-8-5-6-9-14(13)19/h3-11H,12H2,1-2H3
InChIKey
MIEGAVITQIDCRP-UHFFFAOYSA-N
Compound name
1-but-2-enyl-2-(2-fluorophenyl)-4-methoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.13248 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13976 169.1
[M+Na]+ 319.12170 180.4
[M-H]- 295.12520 173.6
[M+NH4]+ 314.16630 185.1
[M+K]+ 335.09564 173.8
[M+H-H2O]+ 279.12974 159.2
[M+HCOO]- 341.13068 190.7
[M+CH3COO]- 355.14633 181.2
[M+Na-2H]- 317.10715 172.5
[M]+ 296.13193 172.6
[M]- 296.13303 172.6
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.