CID 3046475

2-benzofurancarboxamide, n-(aminoiminomethyl)-

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1=CC=C2C(=C1)C=C(O2)C(=O)N=C(N)N
InChI
InChI=1S/C10H9N3O2/c11-10(12)13-9(14)8-5-6-3-1-2-4-7(6)15-8/h1-5H,(H4,11,12,13,14)
InChIKey
XDMAQWGYDDYPSL-UHFFFAOYSA-N
Compound name
N-(diaminomethylidene)-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

203.06947 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.076746 141.7
[M+Na]+ 226.058688 149.9
[M-H]- 202.062194 148.2
[M+NH4]+ 221.103293 161.6
[M+K]+ 242.032628 148.8
[M+H-H2O]+ 186.066730 135.1
[M+HCOO]- 248.067671 169.2
[M+CH3COO]- 262.083321 191.8
[M+Na-2H]- 224.044136 148.3
[M]+ 203.06892142 141.7
[M]- 203.07001858 141.7
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