CID 212073

23856-27-1

Structural Information

Molecular Formula
C15H12ClN3O2
SMILES
C1=CC(=CC=C1OCC(=O)N2C3=C(C=C(C=C3)N)C=N2)Cl
InChI
InChI=1S/C15H12ClN3O2/c16-11-1-4-13(5-2-11)21-9-15(20)19-14-6-3-12(17)7-10(14)8-18-19/h1-8H,9,17H2
InChIKey
USSBRECOFZSWDW-UHFFFAOYSA-N
Compound name
1-(5-aminoindazol-1-yl)-2-(4-chlorophenoxy)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0618 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06908 166.2
[M+Na]+ 324.05102 177.1
[M-H]- 300.05452 171.6
[M+NH4]+ 319.09562 181.9
[M+K]+ 340.02496 171.0
[M+H-H2O]+ 284.05906 157.8
[M+HCOO]- 346.06000 184.9
[M+CH3COO]- 360.07565 178.3
[M+Na-2H]- 322.03647 170.7
[M]+ 301.06125 170.7
[M]- 301.06235 170.7
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.