CID 39562

Lonidamine

Structural Information

Molecular Formula
C15H10Cl2N2O2
SMILES
C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O
InChI
InChI=1S/C15H10Cl2N2O2/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21)
InChIKey
WDRYRZXSPDWGEB-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

480
References

45451
Patents

320.01193 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.01921 167.4
[M+Na]+ 343.00115 179.9
[M-H]- 319.00465 171.5
[M+NH4]+ 338.04575 182.9
[M+K]+ 358.97509 172.3
[M+H-H2O]+ 303.00919 160.1
[M+HCOO]- 365.01013 178.9
[M+CH3COO]- 379.02578 179.2
[M+Na-2H]- 340.98660 170.4
[M]+ 320.01138 173.3
[M]- 320.01248 173.3
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.