CID 5981666

Alpha-methyl-5-nitro-2-furanacrolein semicarbazone

Structural Information

Molecular Formula
C9H10N4O4
SMILES
C/C(=N\NC(=O)N)/C=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C9H10N4O4/c1-6(11-12-9(10)14)2-3-7-4-5-8(17-7)13(15)16/h2-5H,1H3,(H3,10,12,14)/b3-2+,11-6+
InChIKey
CINUUHOYDXCJFA-PDGXAJGZSA-N
Compound name
[(E)-[(E)-4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0702 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07748 151.0
[M+Na]+ 261.05942 155.7
[M-H]- 237.06292 156.1
[M+NH4]+ 256.10402 167.1
[M+K]+ 277.03336 151.6
[M+H-H2O]+ 221.06746 148.1
[M+HCOO]- 283.06840 179.0
[M+CH3COO]- 297.08405 191.2
[M+Na-2H]- 259.04487 156.6
[M]+ 238.06965 148.6
[M]- 238.07075 148.6
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.