CID 145874844

2113470-18-9

Structural Information

Molecular Formula
C15H16N2O2
SMILES
COC(=O)C1CCC2=C(C1)N(N=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H16N2O2/c1-19-15(18)11-7-8-12-10-16-17(14(12)9-11)13-5-3-2-4-6-13/h2-6,10-11H,7-9H2,1H3
InChIKey
HGEQBNMSCMNYLS-UHFFFAOYSA-N
Compound name
methyl 1-phenyl-4,5,6,7-tetrahydroindazole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1212 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 158.9
[M+Na]+ 279.11042 171.9
[M+NH4]+ 274.15502 167.1
[M+K]+ 295.08436 166.7
[M-H]- 255.11392 161.8
[M+Na-2H]- 277.09587 165.4
[M]+ 256.12065 161.5
[M]- 256.12175 161.5
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.