CID 12913

736-26-5

Structural Information

Molecular Formula
C13H10N4O3
SMILES
C1=CC(=O)C(=CC=C1N=O)NNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C13H10N4O3/c18-12-4-2-10(17-20)1-3-11(12)15-16-13(19)9-5-7-14-8-6-9/h1-8H,(H,15,18)(H,16,19)
InChIKey
MQDAALFMMPMHAN-UHFFFAOYSA-N
Compound name
N'-(4-nitroso-7-oxocyclohepta-1,3,5-trien-1-yl)pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0753 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08258 158.5
[M+Na]+ 293.06452 164.1
[M-H]- 269.06802 166.9
[M+NH4]+ 288.10912 172.0
[M+K]+ 309.03846 167.7
[M+H-H2O]+ 253.07256 149.3
[M+HCOO]- 315.07350 185.6
[M+CH3COO]- 329.08915 205.9
[M+Na-2H]- 291.04997 165.6
[M]+ 270.07475 156.6
[M]- 270.07585 156.6
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.