CID 507395

1h-benzimidazole-1-propanenitrile, 2-(2-fluorophenyl)-4-methoxy-

Structural Information

Molecular Formula
C17H14FN3O
SMILES
COC1=CC=CC2=C1N=C(N2CCC#N)C3=CC=CC=C3F
InChI
InChI=1S/C17H14FN3O/c1-22-15-9-4-8-14-16(15)20-17(21(14)11-5-10-19)12-6-2-3-7-13(12)18/h2-4,6-9H,5,11H2,1H3
InChIKey
GQCODPJLRFZZSJ-UHFFFAOYSA-N
Compound name
3-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1121 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11938 166.8
[M+Na]+ 318.10132 179.6
[M-H]- 294.10482 169.1
[M+NH4]+ 313.14592 180.5
[M+K]+ 334.07526 171.6
[M+H-H2O]+ 278.10936 150.1
[M+HCOO]- 340.11030 184.6
[M+CH3COO]- 354.12595 177.0
[M+Na-2H]- 316.08677 170.1
[M]+ 295.11155 164.6
[M]- 295.11265 164.6
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.