CID 6078431

89035-42-7

Structural Information

Molecular Formula
C20H16N2O2
SMILES
C1COC(=C2C1=NN(C2=O)C3=CC=CC=C3)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C20H16N2O2/c23-20-19-17(21-22(20)16-9-5-2-6-10-16)13-14-24-18(19)12-11-15-7-3-1-4-8-15/h1-12H,13-14H2/b12-11+
InChIKey
FCQJNHASUUTYLF-VAWYXSNFSA-N
Compound name
2-phenyl-4-[(E)-2-phenylethenyl]-6,7-dihydropyrano[4,3-c]pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1212 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12848 174.8
[M+Na]+ 339.11042 182.8
[M-H]- 315.11392 183.1
[M+NH4]+ 334.15502 187.3
[M+K]+ 355.08436 177.2
[M+H-H2O]+ 299.11846 164.5
[M+HCOO]- 361.11940 193.2
[M+CH3COO]- 375.13505 185.5
[M+Na-2H]- 337.09587 178.1
[M]+ 316.12065 173.9
[M]- 316.12175 173.9
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.