CID 445847

6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1h-benzoimidazole-5-carboxamidine

Structural Information

Molecular Formula
C18H19FN4O2
SMILES
CC(C)COC1=CC=CC(=C1O)C2=NC3=C(N2)C=C(C(=C3)C(=N)N)F
InChI
InChI=1S/C18H19FN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)
InChIKey
NSUDDASMRZSVON-UHFFFAOYSA-N
Compound name
6-fluoro-2-[2-hydroxy-3-(2-methylpropoxy)phenyl]-1H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

342.1492 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15648 179.7
[M+Na]+ 365.13842 188.2
[M-H]- 341.14192 181.8
[M+NH4]+ 360.18302 191.5
[M+K]+ 381.11236 181.8
[M+H-H2O]+ 325.14646 170.5
[M+HCOO]- 387.14740 198.0
[M+CH3COO]- 401.16305 215.4
[M+Na-2H]- 363.12387 180.0
[M]+ 342.14865 178.3
[M]- 342.14975 178.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe