CID 486525

Schembl5624700

Structural Information

Molecular Formula
C22H16ClN3O3
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)OCC(=O)NC3=CC4=C(C=C3)C=NN4
InChI
InChI=1S/C22H16ClN3O3/c23-16-7-9-20(18(10-16)22(28)14-4-2-1-3-5-14)29-13-21(27)25-17-8-6-15-12-24-26-19(15)11-17/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKey
KSVBEMHNPBHJOI-UHFFFAOYSA-N
Compound name
2-(2-benzoyl-4-chlorophenoxy)-N-(1H-indazol-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

405.088 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.09528 192.7
[M+Na]+ 428.07722 200.7
[M-H]- 404.08072 199.8
[M+NH4]+ 423.12182 202.6
[M+K]+ 444.05116 193.2
[M+H-H2O]+ 388.08526 182.5
[M+HCOO]- 450.08620 208.6
[M+CH3COO]- 464.10185 201.9
[M+Na-2H]- 426.06267 195.6
[M]+ 405.08745 196.4
[M]- 405.08855 196.4
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