CID 374040

Formyl-luminol

Structural Information

Molecular Formula

C₉H₇N₃O₃

SMILES

C1=CC2=C(C(=C1)NC=O)C(=O)NNC2=O

InChI

InChI=1S/C9H7N3O3/c13-4-10-6-3-1-2-5-7(6)9(15)12-11-8(5)14/h1-4H,(H,10,13)(H,11,14)(H,12,15)

InChIKey

SKUVZBPVXFYACQ-UHFFFAOYSA-N

Compound name

N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 205.04874 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.05602	139.0
[M+Na]+	228.03796	149.6
[M-H]-	204.04146	139.1
[M+NH4]+	223.08256	155.0
[M+K]+	244.01190	144.5
[M+H-H2O]+	188.04600	131.9
[M+HCOO]-	250.04694	159.9
[M+CH3COO]-	264.06259	181.7
[M+Na-2H]-	226.02341	147.9
[M]+	205.04819	137.7
[M]-	205.04929	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe