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

literature stripe

Patent stripe

patents stripe