CID 9570073

Hydrofuramide

Structural Information

Molecular Formula
C15H12N2O3
SMILES
C1=COC(=C1)/C=N/C(/N=C/C2=CC=CO2)C3=CC=CO3
InChI
InChI=1S/C15H12N2O3/c1-4-12(18-7-1)10-16-15(14-6-3-9-20-14)17-11-13-5-2-8-19-13/h1-11,15H/b16-10+,17-11+
InChIKey
CYGDSXFTXXFMNI-OTYYAQKOSA-N
Compound name
(E)-1-(furan-2-yl)-N-[furan-2-yl-[(E)-furan-2-ylmethylideneamino]methyl]methanimine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

1
Patents

268.08478 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09206 160.3
[M+Na]+ 291.07400 167.8
[M-H]- 267.07750 175.3
[M+NH4]+ 286.11860 177.9
[M+K]+ 307.04794 169.4
[M+H-H2O]+ 251.08204 154.5
[M+HCOO]- 313.08298 191.2
[M+CH3COO]- 327.09863 175.1
[M+Na-2H]- 289.05945 165.9
[M]+ 268.08423 167.2
[M]- 268.08533 167.2
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