CID 760382

Dtxsid401169720

Structural Information

Molecular Formula
C12H11N3O2
SMILES
CC1=C(C=CO1)C(=O)NN=CC2=CC=CC=N2
InChI
InChI=1S/C12H11N3O2/c1-9-11(5-7-17-9)12(16)15-14-8-10-4-2-3-6-13-10/h2-8H,1H3,(H,15,16)
InChIKey
FYMLWJAMXQEYLH-UHFFFAOYSA-N
Compound name
2-methyl-N-(pyridin-2-ylmethylideneamino)furan-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.08513 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09241 149.9
[M+Na]+ 252.07435 157.3
[M-H]- 228.07785 157.6
[M+NH4]+ 247.11895 166.8
[M+K]+ 268.04829 156.0
[M+H-H2O]+ 212.08239 141.5
[M+HCOO]- 274.08333 176.9
[M+CH3COO]- 288.09898 194.0
[M+Na-2H]- 250.05980 156.6
[M]+ 229.08458 151.6
[M]- 229.08568 151.6
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.