CID 165354202

Dtxsid901196336

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CC(C)COC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O2/c1-14(2)13-23-19(22)18-16-10-6-7-11-17(16)21(20-18)12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3
InChIKey
MJJXDAPHPKBWRL-UHFFFAOYSA-N
Compound name
2-methylpropyl 1-benzylindazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 174.1
[M+Na]+ 331.14169 182.1
[M-H]- 307.14519 179.3
[M+NH4]+ 326.18629 188.8
[M+K]+ 347.11563 177.5
[M+H-H2O]+ 291.14973 164.7
[M+HCOO]- 353.15067 194.6
[M+CH3COO]- 367.16632 206.0
[M+Na-2H]- 329.12714 176.9
[M]+ 308.15192 178.3
[M]- 308.15302 178.3
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.