CID 507390

2-(2-fluorophenyl)-4-methoxy-1-(4-methylpent-3-enyl)benzimidazole

Structural Information

Molecular Formula
C20H21FN2O
SMILES
CC(=CCCN1C2=C(C(=CC=C2)OC)N=C1C3=CC=CC=C3F)C
InChI
InChI=1S/C20H21FN2O/c1-14(2)8-7-13-23-17-11-6-12-18(24-3)19(17)22-20(23)15-9-4-5-10-16(15)21/h4-6,8-12H,7,13H2,1-3H3
InChIKey
QXZUPYCDQNAVSV-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-4-methoxy-1-(4-methylpent-3-enyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1638 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17108 178.5
[M+Na]+ 347.15302 188.5
[M-H]- 323.15652 182.8
[M+NH4]+ 342.19762 193.3
[M+K]+ 363.12696 182.0
[M+H-H2O]+ 307.16106 168.4
[M+HCOO]- 369.16200 198.4
[M+CH3COO]- 383.17765 211.1
[M+Na-2H]- 345.13847 179.7
[M]+ 324.16325 182.1
[M]- 324.16435 182.1
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.