CID 17859444

50264-71-6

Structural Information

Molecular Formula
C16H14N2O3
SMILES
COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)C(=O)O
InChI
InChI=1S/C16H14N2O3/c1-21-12-8-6-11(7-9-12)10-18-14-5-3-2-4-13(14)15(17-18)16(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKey
GPLVXAMBUCHFJE-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

282.10043 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.107706 162.9
[M+Na]+ 305.089648 172.9
[M-H]- 281.093154 167.7
[M+NH4]+ 300.134253 178.3
[M+K]+ 321.063588 168.3
[M+H-H2O]+ 265.097690 154.5
[M+HCOO]- 327.098631 184.2
[M+CH3COO]- 341.114281 175.1
[M+Na-2H]- 303.075096 167.5
[M]+ 282.09988142 167.0
[M]- 282.10097858 167.0
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

patents stripe