CID 1236282

Brn 5559414

Structural Information

Molecular Formula
C16H12N2O
SMILES
C1C2=C(C3=CC=CC=C3O1)NN=C2C4=CC=CC=C4
InChI
InChI=1S/C16H12N2O/c1-2-6-11(7-3-1)15-13-10-19-14-9-5-4-8-12(14)16(13)18-17-15/h1-9H,10H2,(H,17,18)
InChIKey
ARXFBCCVCDACKG-UHFFFAOYSA-N
Compound name
3-phenyl-1,4-dihydrochromeno[4,3-c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.09496 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10224 155.4
[M+Na]+ 271.08418 171.8
[M+NH4]+ 266.12878 165.4
[M+K]+ 287.05812 165.0
[M-H]- 247.08768 161.5
[M+Na-2H]- 269.06963 163.6
[M]+ 248.09441 159.7
[M]- 248.09551 159.7
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.