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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09238 161.8
[M+Na]+ 300.07432 175.3
[M-H]- 276.07782 168.6
[M+NH4]+ 295.11892 176.6
[M+K]+ 316.04826 170.3
[M+H-H2O]+ 260.08236 152.3
[M+HCOO]- 322.08330 182.7
[M+CH3COO]- 336.09895 175.0
[M+Na-2H]- 298.05977 169.9
[M]+ 277.08455 166.9
[M]- 277.08565 167.0
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