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]+ 285.123376 163.4
[M+Na]+ 307.105318 174.7
[M-H]- 283.108824 168.4
[M+NH4]+ 302.149923 179.2
[M+K]+ 323.079258 169.5
[M+H-H2O]+ 267.113360 155.0
[M+HCOO]- 329.114301 185.7
[M+CH3COO]- 343.129951 176.0
[M+Na-2H]- 305.090766 168.4
[M]+ 284.11555142 168.5
[M]- 284.11664858 168.5
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.