CID 135483920

Nsc635539

Structural Information

Molecular Formula
C14H13N5O4
SMILES
C/C(=N\NC(=O)CC#N)/C1=C[N+](=C2C=CC(=CC2=[N+]1[O-])OC)[O-]
InChI
InChI=1S/C14H13N5O4/c1-9(16-17-14(20)5-6-15)13-8-18(21)11-4-3-10(23-2)7-12(11)19(13)22/h3-4,7-8H,5H2,1-2H3,(H,17,20)/b16-9+
InChIKey
SFQMHXZGQMNMLT-CXUHLZMHSA-N
Compound name
2-cyano-N-[(E)-1-(7-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-yl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.09674 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.10402 178.2
[M+Na]+ 338.08596 185.4
[M-H]- 314.08946 177.7
[M+NH4]+ 333.13056 186.9
[M+K]+ 354.05990 173.2
[M+H-H2O]+ 298.09400 171.2
[M+HCOO]- 360.09494 194.0
[M+CH3COO]- 374.11059 205.4
[M+Na-2H]- 336.07141 184.8
[M]+ 315.09619 170.5
[M]- 315.09729 170.5
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.