CID 3007948

Schembl14519403

Structural Information

Molecular Formula
C22H19FN4
SMILES
C1=CC(=CC=C1CCC2=CC=C(C=C2)F)C3=NC4=C(N3)C=C(C=C4)C(=N)N
InChI
InChI=1S/C22H19FN4/c23-18-10-5-15(6-11-18)2-1-14-3-7-16(8-4-14)22-26-19-12-9-17(21(24)25)13-20(19)27-22/h3-13H,1-2H2,(H3,24,25)(H,26,27)
InChIKey
OZZAMBZNLOTNDA-UHFFFAOYSA-N
Compound name
2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

358.15936 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.16664 184.2
[M+Na]+ 381.14858 192.5
[M-H]- 357.15208 190.0
[M+NH4]+ 376.19318 195.3
[M+K]+ 397.12252 183.2
[M+H-H2O]+ 341.15662 173.2
[M+HCOO]- 403.15756 204.5
[M+CH3COO]- 417.17321 193.5
[M+Na-2H]- 379.13403 187.0
[M]+ 358.15881 180.9
[M]- 358.15991 180.9
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.