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

46131
Patents

320.01193 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.019206 167.4
[M+Na]+ 343.001148 179.9
[M-H]- 319.004654 171.5
[M+NH4]+ 338.045753 182.9
[M+K]+ 358.975088 172.3
[M+H-H2O]+ 303.009190 160.1
[M+HCOO]- 365.010131 178.9
[M+CH3COO]- 379.025781 179.2
[M+Na-2H]- 340.986596 170.4
[M]+ 320.01138142 173.3
[M]- 320.01247858 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

literature stripe

Patent stripe

patents stripe