CID 121076

1-veratryl-1h-indazol-3-ol

Structural Information

Molecular Formula
C16H16N2O3
SMILES
COC1=C(C=C(C=C1)CN2C3=CC=CC=C3C(=O)N2)OC
InChI
InChI=1S/C16H16N2O3/c1-20-14-8-7-11(9-15(14)21-2)10-18-13-6-4-3-5-12(13)16(19)17-18/h3-9H,10H2,1-2H3,(H,17,19)
InChIKey
XHCGLUVJQPPZOD-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethoxyphenyl)methyl]-2H-indazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1161 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 164.4
[M+Na]+ 307.10532 179.9
[M+NH4]+ 302.14992 171.7
[M+K]+ 323.07926 174.3
[M-H]- 283.10882 167.2
[M+Na-2H]- 305.09077 171.9
[M]+ 284.11555 167.4
[M]- 284.11665 167.4
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.