CID 394299

Nsc697666

Structural Information

Molecular Formula
C19H21FN4
SMILES
CC1=CC=C(C=C1)C2=NC3=CC(=C(C=C3N2)F)N4CCN(CC4)C
InChI
InChI=1S/C19H21FN4/c1-13-3-5-14(6-4-13)19-21-16-11-15(20)18(12-17(16)22-19)24-9-7-23(2)8-10-24/h3-6,11-12H,7-10H2,1-2H3,(H,21,22)
InChIKey
NBIVAZIYSPCOIW-UHFFFAOYSA-N
Compound name
6-fluoro-2-(4-methylphenyl)-5-(4-methylpiperazin-1-yl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.17502 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.18230 180.1
[M+Na]+ 347.16424 189.4
[M-H]- 323.16774 183.1
[M+NH4]+ 342.20884 191.0
[M+K]+ 363.13818 180.9
[M+H-H2O]+ 307.17228 168.0
[M+HCOO]- 369.17322 193.6
[M+CH3COO]- 383.18887 189.1
[M+Na-2H]- 345.14969 180.7
[M]+ 324.17447 176.1
[M]- 324.17557 176.1
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.