CID 507398

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

Structural Information

Molecular Formula
C20H23FN2O
SMILES
CCC(CC)CN1C2=C(C(=CC=C2)OC)N=C1C3=CC=CC=C3F
InChI
InChI=1S/C20H23FN2O/c1-4-14(5-2)13-23-17-11-8-12-18(24-3)19(17)22-20(23)15-9-6-7-10-16(15)21/h6-12,14H,4-5,13H2,1-3H3
InChIKey
VYRWPKLVVORTLG-UHFFFAOYSA-N
Compound name
1-(2-ethylbutyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.17944 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18672 179.4
[M+Na]+ 349.16866 189.0
[M-H]- 325.17216 183.5
[M+NH4]+ 344.21326 194.1
[M+K]+ 365.14260 183.1
[M+H-H2O]+ 309.17670 169.2
[M+HCOO]- 371.17764 199.1
[M+CH3COO]- 385.19329 212.5
[M+Na-2H]- 347.15411 180.6
[M]+ 326.17889 183.7
[M]- 326.17999 183.7
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.