CID 59365496

918321-20-7

Structural Information

Molecular Formula

C₁₀H₁₀FN₃O₂

SMILES

CN1C=NC2=C1C=C(C(=C2F)N)C(=O)OC

InChI

InChI=1S/C10H10FN3O2/c1-14-4-13-9-6(14)3-5(10(15)16-2)8(12)7(9)11/h3-4H,12H2,1-2H3

InChIKey

LDEVURKKVDBRLD-UHFFFAOYSA-N

Compound name

methyl 6-amino-7-fluoro-3-methylbenzimidazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 223.0757 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.08298	144.9
[M+Na]+	246.06492	157.2
[M-H]-	222.06842	146.8
[M+NH4]+	241.10952	163.9
[M+K]+	262.03886	154.0
[M+H-H2O]+	206.07296	137.3
[M+HCOO]-	268.07390	167.7
[M+CH3COO]-	282.08955	191.9
[M+Na-2H]-	244.05037	149.0
[M]+	223.07515	147.5
[M]-	223.07625	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe