CID 210676

Poli 64

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]+ 287.13902 166.7
[M+Na]+ 309.12096 178.7
[M+NH4]+ 304.16556 173.7
[M+K]+ 325.09490 174.4
[M-H]- 285.12446 168.6
[M+Na-2H]- 307.10641 171.6
[M]+ 286.13119 168.7
[M]- 286.13229 168.7
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.