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 163.4
[M+Na]+ 309.05942 168.4
[M-H]- 285.06292 170.5
[M+NH4]+ 304.10402 175.2
[M+K]+ 325.03336 167.4
[M+H-H2O]+ 269.06746 158.6
[M+HCOO]- 331.06840 189.3
[M+CH3COO]- 345.08405 198.7
[M+Na-2H]- 307.04487 171.2
[M]+ 286.06965 159.2
[M]- 286.07075 159.2
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