CID 71354

Bindarit

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CC(C)(C(=O)O)OCC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O3/c1-19(2,18(22)23)24-13-16-15-10-6-7-11-17(15)21(20-16)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)
InChIKey
MTHORRSSURHQPZ-UHFFFAOYSA-N
Compound name
2-[(1-benzylindazol-3-yl)methoxy]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

70
References

1366
Patents

324.1474 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 177.7
[M+Na]+ 347.13662 185.7
[M-H]- 323.14012 181.8
[M+NH4]+ 342.18122 191.1
[M+K]+ 363.11056 181.1
[M+H-H2O]+ 307.14466 169.1
[M+HCOO]- 369.14560 196.3
[M+CH3COO]- 383.16125 205.9
[M+Na-2H]- 345.12207 182.3
[M]+ 324.14685 181.8
[M]- 324.14795 181.8
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