CID 57358774

2-aminoflubendazole

Structural Information

Molecular Formula
C14H10FN3O
SMILES
C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)N=C(N3)N)F
InChI
InChI=1S/C14H10FN3O/c15-10-4-1-8(2-5-10)13(19)9-3-6-11-12(7-9)18-14(16)17-11/h1-7H,(H3,16,17,18)
InChIKey
WINHLTQNRABBSW-UHFFFAOYSA-N
Compound name
(2-amino-3H-benzimidazol-5-yl)-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

32
Patents

255.0808 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.08808 154.1
[M+Na]+ 278.07002 164.6
[M-H]- 254.07352 157.3
[M+NH4]+ 273.11462 170.2
[M+K]+ 294.04396 158.3
[M+H-H2O]+ 238.07806 145.2
[M+HCOO]- 300.07900 175.2
[M+CH3COO]- 314.09465 166.2
[M+Na-2H]- 276.05547 158.8
[M]+ 255.08025 152.2
[M]- 255.08135 152.2
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