CID 135455378

Rch 1003

Structural Information

Molecular Formula
C13H10N4O4
SMILES
C1=CC(=O)C(=CC=C1N=O)NNC(=O)C2=CC=[N+](C=C2)[O-]
InChI
InChI=1S/C13H10N4O4/c18-12-4-2-10(16-20)1-3-11(12)14-15-13(19)9-5-7-17(21)8-6-9/h1-8H,(H,14,18)(H,15,19)
InChIKey
VICCRTMLKQJQCA-UHFFFAOYSA-N
Compound name
N'-(4-nitroso-7-oxocyclohepta-1,3,5-trien-1-yl)-1-oxidopyridin-1-ium-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0702 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07748 166.0
[M+Na]+ 309.05942 176.6
[M+NH4]+ 304.10402 171.1
[M+K]+ 325.03336 174.5
[M-H]- 285.06292 170.0
[M+Na-2H]- 307.04487 172.7
[M]+ 286.06965 168.3
[M]- 286.07075 168.3
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

patents stripe