CID 13573272

Brn 5591800

Structural Information

Molecular Formula
C17H14N2O2
SMILES
COC1=CC2=C(C=C1)C3=C(CO2)C(=NN3)C4=CC=CC=C4
InChI
InChI=1S/C17H14N2O2/c1-20-12-7-8-13-15(9-12)21-10-14-16(18-19-17(13)14)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19)
InChIKey
KEDFJUCOMRWBLA-UHFFFAOYSA-N
Compound name
7-methoxy-3-phenyl-1,4-dihydrochromeno[4,3-c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.10553 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 163.5
[M+Na]+ 301.09475 179.5
[M+NH4]+ 296.13935 172.6
[M+K]+ 317.06869 173.2
[M-H]- 277.09825 169.1
[M+Na-2H]- 299.08020 170.7
[M]+ 278.10498 167.5
[M]- 278.10608 167.5
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.