CID 15956883

Schembl6470573

Structural Information

Molecular Formula
C17H13N3O3
SMILES
CC1=C2C(=NN1C3=CC=CC=N3)C4=C(C=CC(=C4)OC)OC2=O
InChI
InChI=1S/C17H13N3O3/c1-10-15-16(19-20(10)14-5-3-4-8-18-14)12-9-11(22-2)6-7-13(12)23-17(15)21/h3-9H,1-2H3
InChIKey
IVFNDGQFNLJEIA-UHFFFAOYSA-N
Compound name
8-methoxy-3-methyl-2-pyridin-2-ylchromeno[4,3-c]pyrazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

307.0957 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10298 170.3
[M+Na]+ 330.08492 183.8
[M-H]- 306.08842 177.2
[M+NH4]+ 325.12952 184.0
[M+K]+ 346.05886 179.3
[M+H-H2O]+ 290.09296 160.5
[M+HCOO]- 352.09390 190.8
[M+CH3COO]- 366.10955 183.1
[M+Na-2H]- 328.07037 177.1
[M]+ 307.09515 177.4
[M]- 307.09625 177.4
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