CID 392848

Nsc693860

Structural Information

Molecular Formula
C20H24N2O6
SMILES
CC1(CC2=C(C(C1C(=O)OC)C3=CC(=C(C=C3)OCC=C)OC)C(=O)NN2)O
InChI
InChI=1S/C20H24N2O6/c1-5-8-28-13-7-6-11(9-14(13)26-3)15-16-12(21-22-18(16)23)10-20(2,25)17(15)19(24)27-4/h5-7,9,15,17,25H,1,8,10H2,2-4H3,(H2,21,22,23)
InChIKey
AZPFPGITHOVFNR-UHFFFAOYSA-N
Compound name
methyl 6-hydroxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.16342 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17070 190.0
[M+Na]+ 411.15264 197.8
[M-H]- 387.15614 191.6
[M+NH4]+ 406.19724 201.8
[M+K]+ 427.12658 192.9
[M+H-H2O]+ 371.16068 182.7
[M+HCOO]- 433.16162 203.3
[M+CH3COO]- 447.17727 214.4
[M+Na-2H]- 409.13809 188.8
[M]+ 388.16287 192.1
[M]- 388.16397 192.1
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.