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

43
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

literature stripe

Patent stripe

patents stripe