CID 948611

Dtxsid501163618

Structural Information

Molecular Formula
C13H10N4O2
SMILES
C1=COC(=C1)C=NNC(=O)C2=CC3=C(C=C2)N=CN3
InChI
InChI=1S/C13H10N4O2/c18-13(17-16-7-10-2-1-5-19-10)9-3-4-11-12(6-9)15-8-14-11/h1-8H,(H,14,15)(H,17,18)
InChIKey
KJXUEPQGCHYEIG-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.08037 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08765 152.6
[M+Na]+ 277.06959 161.3
[M-H]- 253.07309 159.4
[M+NH4]+ 272.11419 169.3
[M+K]+ 293.04353 158.4
[M+H-H2O]+ 237.07763 144.4
[M+HCOO]- 299.07857 178.6
[M+CH3COO]- 313.09422 165.6
[M+Na-2H]- 275.05504 159.8
[M]+ 254.07982 154.7
[M]- 254.08092 154.7
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.