CID 120536

1-(4-methoxybenzyl)-1,2-dihydro-3h-indazol-3-one

Structural Information

Molecular Formula
C15H14N2O2
SMILES
COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C15H14N2O2/c1-19-12-8-6-11(7-9-12)10-17-14-5-3-2-4-13(14)15(18)16-17/h2-9H,10H2,1H3,(H,16,18)
InChIKey
BMKYHARYHCUVDW-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]-2H-indazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

254.10553 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 156.4
[M+Na]+ 277.09475 172.2
[M+NH4]+ 272.13935 164.5
[M+K]+ 293.06869 166.1
[M-H]- 253.09825 159.6
[M+Na-2H]- 275.08020 165.0
[M]+ 254.10498 159.6
[M]- 254.10608 159.6
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