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]+ 214.097486 143.8
[M+Na]+ 236.079428 155.7
[M-H]- 212.082934 150.8
[M+NH4]+ 231.124033 163.2
[M+K]+ 252.053368 152.6
[M+H-H2O]+ 196.087470 136.7
[M+HCOO]- 258.088411 168.9
[M+CH3COO]- 272.104061 158.5
[M+Na-2H]- 234.064876 149.4
[M]+ 213.08966142 146.8
[M]- 213.09075858 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.