CID 6436102

Furalazine

Structural Information

Molecular Formula
C9H7N5O3
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=C/C2=CN=C(N=N2)N
InChI
InChI=1S/C9H7N5O3/c10-9-11-5-6(12-13-9)1-2-7-3-4-8(17-7)14(15)16/h1-5H,(H2,10,11,13)/b2-1+
InChIKey
RWOLIGKRDWLZSV-OWOJBTEDSA-N
Compound name
6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

335
Patents

233.05489 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.062166 146.8
[M+Na]+ 256.044108 155.0
[M-H]- 232.047614 150.8
[M+NH4]+ 251.088713 159.5
[M+K]+ 272.018048 148.6
[M+H-H2O]+ 216.052150 142.1
[M+HCOO]- 278.053091 170.6
[M+CH3COO]- 292.068741 183.5
[M+Na-2H]- 254.029556 155.7
[M]+ 233.05434142 145.1
[M]- 233.05543858 145.1
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