CID 3046471

62120-06-3

Structural Information

Molecular Formula
C8H11N3O2
SMILES
CCC1=CC=C(O1)C(=O)N=C(N)N
InChI
InChI=1S/C8H11N3O2/c1-2-5-3-4-6(13-5)7(12)11-8(9)10/h3-4H,2H2,1H3,(H4,9,10,11,12)
InChIKey
XNBXOOHMNZQKJE-UHFFFAOYSA-N
Compound name
N-(diaminomethylidene)-5-ethylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 140.9
[M+Na]+ 204.07435 148.2
[M+NH4]+ 199.11895 147.3
[M+K]+ 220.04829 146.9
[M-H]- 180.07785 143.5
[M+Na-2H]- 202.05980 143.9
[M]+ 181.08458 142.1
[M]- 181.08568 142.1
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.