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]+ 365.18596 188.0
[M+Na]+ 387.16790 204.0
[M+NH4]+ 382.21250 197.4
[M+K]+ 403.14184 195.8
[M-H]- 363.17140 195.1
[M+Na-2H]- 385.15335 196.9
[M]+ 364.17813 192.7
[M]- 364.17923 192.7
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.