CID 3076159

Brn 4765873

Structural Information

Molecular Formula
C22H24N2O3
SMILES
CC1(CC2=NN(C(=C2CO1)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)C
InChI
InChI=1S/C22H24N2O3/c1-22(2)13-18-17(14-27-22)21(24(23-18)16-8-6-5-7-9-16)15-10-11-19(25-3)20(12-15)26-4/h5-12H,13-14H2,1-4H3
InChIKey
RCVASGBNMURCEX-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-6,6-dimethyl-2-phenyl-4,7-dihydropyrano[4,3-c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.17868 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.185956 188.7
[M+Na]+ 387.167898 197.8
[M-H]- 363.171404 197.9
[M+NH4]+ 382.212503 202.0
[M+K]+ 403.141838 194.1
[M+H-H2O]+ 347.175940 178.3
[M+HCOO]- 409.176881 206.2
[M+CH3COO]- 423.192531 199.4
[M+Na-2H]- 385.153346 190.8
[M]+ 364.17813142 192.6
[M]- 364.17922858 192.6
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.