CID 210676

1h-indazole-3-acetic acid, 4,5,6,7-tetrahydro-1-(p-methoxyphenyl)-

Structural Information

Molecular Formula
C16H18N2O3
SMILES
COC1=CC=C(C=C1)N2C3=C(CCCC3)C(=N2)CC(=O)O
InChI
InChI=1S/C16H18N2O3/c1-21-12-8-6-11(7-9-12)18-15-5-3-2-4-13(15)14(17-18)10-16(19)20/h6-9H,2-5,10H2,1H3,(H,19,20)
InChIKey
DHTYFYXZNNSXGT-UHFFFAOYSA-N
Compound name
2-[1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.139016 166.1
[M+Na]+ 309.120958 173.1
[M-H]- 285.124464 169.6
[M+NH4]+ 304.165563 181.0
[M+K]+ 325.094898 169.0
[M+H-H2O]+ 269.129000 157.6
[M+HCOO]- 331.129941 183.1
[M+CH3COO]- 345.145591 198.7
[M+Na-2H]- 307.106406 167.8
[M]+ 286.13119142 165.9
[M]- 286.13228858 165.9
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.