CID 15956882

Schembl6468607

Structural Information

Molecular Formula

C₁₆H₁₁N₃O₂

SMILES

CC1=C2C(=NN1C3=CC=CC=N3)C4=CC=CC=C4OC2=O

InChI

InChI=1S/C16H11N3O2/c1-10-14-15(18-19(10)13-8-4-5-9-17-13)11-6-2-3-7-12(11)21-16(14)20/h2-9H,1H3

InChIKey

QYTLZBOIEOWURC-UHFFFAOYSA-N

Compound name

3-methyl-2-pyridin-2-ylchromeno[4,3-c]pyrazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 277.0851 Da
Monoisotopic Mass: 2.7
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]+	278.092376	161.8
[M+Na]+	300.074318	175.3
[M-H]-	276.077824	168.6
[M+NH4]+	295.118923	176.6
[M+K]+	316.048258	170.3
[M+H-H2O]+	260.082360	152.3
[M+HCOO]-	322.083301	182.7
[M+CH3COO]-	336.098951	175.0
[M+Na-2H]-	298.059766	169.9
[M]+	277.08455142	166.9
[M]-	277.08564858	166.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe