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[3,4-d]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]+ 249.102236 153.7
[M+Na]+ 271.084178 162.8
[M-H]- 247.087684 158.9
[M+NH4]+ 266.128783 169.8
[M+K]+ 287.058118 157.5
[M+H-H2O]+ 231.092220 145.1
[M+HCOO]- 293.093161 171.4
[M+CH3COO]- 307.108811 165.6
[M+Na-2H]- 269.069626 161.3
[M]+ 248.09441142 152.3
[M]- 248.09550858 152.3
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.