CID 24209030

21444-67-7

Structural Information

Molecular Formula
C12H11N3O
SMILES
CN1C2=C(C=C(C=C2)N)N=C1C3=CC=CO3
InChI
InChI=1S/C12H11N3O/c1-15-10-5-4-8(13)7-9(10)14-12(15)11-3-2-6-16-11/h2-7H,13H2,1H3
InChIKey
UNAIQHDZAUXUEU-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-1-methylbenzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09021 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.09749 143.8
[M+Na]+ 236.07943 155.7
[M-H]- 212.08293 150.8
[M+NH4]+ 231.12403 163.2
[M+K]+ 252.05337 152.6
[M+H-H2O]+ 196.08747 136.7
[M+HCOO]- 258.08841 168.9
[M+CH3COO]- 272.10406 158.5
[M+Na-2H]- 234.06488 149.4
[M]+ 213.08966 146.8
[M]- 213.09076 146.8
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.