CID 207987

31338-73-5

Structural Information

Molecular Formula
C15H14N2O
SMILES
CC1=C(C(=CC=C1)N2C3=CC=CC=C3C(=O)N2)C
InChI
InChI=1S/C15H14N2O/c1-10-6-5-9-13(11(10)2)17-14-8-4-3-7-12(14)15(18)16-17/h3-9H,1-2H3,(H,16,18)
InChIKey
QXMOQFIPCBKBDY-UHFFFAOYSA-N
Compound name
1-(2,3-dimethylphenyl)-2H-indazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

238.11061 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.117886 152.6
[M+Na]+ 261.099828 164.8
[M-H]- 237.103334 157.8
[M+NH4]+ 256.144433 170.5
[M+K]+ 277.073768 158.5
[M+H-H2O]+ 221.107870 144.9
[M+HCOO]- 283.108811 174.9
[M+CH3COO]- 297.124461 166.0
[M+Na-2H]- 259.085276 158.0
[M]+ 238.11006142 154.6
[M]- 238.11115858 154.6
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