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

0
Patents

238.11061 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 153.0
[M+Na]+ 261.09983 169.7
[M+NH4]+ 256.14443 161.7
[M+K]+ 277.07377 163.3
[M-H]- 237.10333 156.8
[M+Na-2H]- 259.08528 161.8
[M]+ 238.11006 156.6
[M]- 238.11116 156.6
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

No patent data available for this compound.