CID 744225

2-(furan-2-yl)-1h-1,3-benzodiazol-5-amine

Structural Information

Molecular Formula
C11H9N3O
SMILES
C1=COC(=C1)C2=NC3=C(N2)C=C(C=C3)N
InChI
InChI=1S/C11H9N3O/c12-7-3-4-8-9(6-7)14-11(13-8)10-2-1-5-15-10/h1-6H,12H2,(H,13,14)
InChIKey
VNTKPXBQPUSWQY-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

38
Patents

199.07455 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08183 138.6
[M+Na]+ 222.06377 149.5
[M-H]- 198.06727 144.0
[M+NH4]+ 217.10837 157.5
[M+K]+ 238.03771 145.9
[M+H-H2O]+ 182.07181 131.7
[M+HCOO]- 244.07275 162.5
[M+CH3COO]- 258.08840 152.7
[M+Na-2H]- 220.04922 145.1
[M]+ 199.07400 139.1
[M]- 199.07510 139.1
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.