CID 71589161

Iron(3+), tri(3-cyano-7-methyl-1,4-dioxidoquinoxalin-2-yl)azanide

Structural Information

Molecular Formula
C10H7N4O2
SMILES
CC1=CC2=C(C=C1)[N+](=C(C(=N)N2[O-])C#N)[O-]
InChI
InChI=1S/C10H7N4O2/c1-6-2-3-7-8(4-6)14(16)10(12)9(5-11)13(7)15/h2-4,12H,1H3/q-1
InChIKey
CINWUNONJAZYDJ-UHFFFAOYSA-N
Compound name
3-imino-6-methyl-1,4-dioxidoquinoxalin-1-ium-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

215.0569 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06418 149.9
[M+Na]+ 238.04612 161.4
[M-H]- 214.04962 149.2
[M+NH4]+ 233.09072 163.3
[M+K]+ 254.02006 152.6
[M+H-H2O]+ 198.05416 142.4
[M+HCOO]- 260.05510 167.0
[M+CH3COO]- 274.07075 192.1
[M+Na-2H]- 236.03157 156.8
[M]+ 215.05635 141.7
[M]- 215.05745 141.7
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.