CID 486526

Schembl5624002

Structural Information

Molecular Formula
C20H14ClN3O4
SMILES
C1=COC(=C1)C(=O)C2=C(C=CC(=C2)Cl)OCC(=O)NC3=CC4=C(C=C3)C=NN4
InChI
InChI=1S/C20H14ClN3O4/c21-13-4-6-17(15(8-13)20(26)18-2-1-7-27-18)28-11-19(25)23-14-5-3-12-10-22-24-16(12)9-14/h1-10H,11H2,(H,22,24)(H,23,25)
InChIKey
RAZYVIZUPSVJIE-UHFFFAOYSA-N
Compound name
2-[4-chloro-2-(furan-2-carbonyl)phenoxy]-N-(1H-indazol-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

395.0673 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.07458 189.1
[M+Na]+ 418.05652 197.8
[M-H]- 394.06002 197.8
[M+NH4]+ 413.10112 200.1
[M+K]+ 434.03046 192.8
[M+H-H2O]+ 378.06456 180.4
[M+HCOO]- 440.06550 205.8
[M+CH3COO]- 454.08115 199.4
[M+Na-2H]- 416.04197 190.5
[M]+ 395.06675 195.1
[M]- 395.06785 195.1
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