CID 44427644

Chembl244145

Structural Information

Molecular Formula
C21H14F4N4O
SMILES
C1=CC(=C2C(=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F)/C(=N/O)/N
InChI
InChI=1S/C21H14F4N4O/c22-13-5-2-6-14(23)12(13)10-29-17-9-1-4-11(20(26)28-30)19(17)27-21(29)18-15(24)7-3-8-16(18)25/h1-9,30H,10H2,(H2,26,28)
InChIKey
HYBZCGXOOZKLTM-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-N'-hydroxybenzimidazole-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.11038 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.11766 195.4
[M+Na]+ 437.09960 207.3
[M-H]- 413.10310 199.8
[M+NH4]+ 432.14420 205.5
[M+K]+ 453.07354 198.3
[M+H-H2O]+ 397.10764 181.7
[M+HCOO]- 459.10858 214.3
[M+CH3COO]- 473.12423 204.7
[M+Na-2H]- 435.08505 194.8
[M]+ 414.10983 193.0
[M]- 414.11093 193.0
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

No patent data available for this compound.