CID 394298

Nsc697665

Structural Information

Molecular Formula
C18H18ClFN4
SMILES
CN1CCN(CC1)C2=C(C=C3C(=C2)N=C(N3)C4=CC=C(C=C4)Cl)F
InChI
InChI=1S/C18H18ClFN4/c1-23-6-8-24(9-7-23)17-11-16-15(10-14(17)20)21-18(22-16)12-2-4-13(19)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,21,22)
InChIKey
AHLDICFOVWNWRW-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

344.1204 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12768 181.6
[M+Na]+ 367.10962 191.9
[M-H]- 343.11312 184.2
[M+NH4]+ 362.15422 192.4
[M+K]+ 383.08356 182.4
[M+H-H2O]+ 327.11766 169.4
[M+HCOO]- 389.11860 190.6
[M+CH3COO]- 403.13425 190.4
[M+Na-2H]- 365.09507 182.0
[M]+ 344.11985 179.3
[M]- 344.12095 179.3
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

patents stripe