CID 486528

Schembl5623692

Structural Information

Molecular Formula
C24H17ClN4O3
SMILES
CC1=CC2=C(C=C1NC(=O)COC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC(=C4)C#N)NN=C2
InChI
InChI=1S/C24H17ClN4O3/c1-14-7-17-12-27-29-21(17)10-20(14)28-23(30)13-32-22-6-5-18(25)9-19(22)24(31)16-4-2-3-15(8-16)11-26/h2-10,12H,13H2,1H3,(H,27,29)(H,28,30)
InChIKey
OQOUVXPUPLDUGS-UHFFFAOYSA-N
Compound name
2-[4-chloro-2-(3-cyanobenzoyl)phenoxy]-N-(5-methyl-1H-indazol-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

444.0989 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.10618 211.7
[M+Na]+ 467.08812 222.6
[M-H]- 443.09162 216.1
[M+NH4]+ 462.13272 218.8
[M+K]+ 483.06206 212.1
[M+H-H2O]+ 427.09616 194.9
[M+HCOO]- 489.09710 223.2
[M+CH3COO]- 503.11275 218.1
[M+Na-2H]- 465.07357 210.7
[M]+ 444.09835 210.3
[M]- 444.09945 210.3
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.