CID 514129

Chembl16233

Structural Information

Molecular Formula
C22H22N2O4
SMILES
C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)C(=C(N3O)O)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H22N2O4/c25-20(14-7-3-1-4-8-14)19-17-12-11-16(13-18(17)24(28)22(19)27)23-21(26)15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15,27-28H,2,5-6,9-10H2,(H,23,26)
InChIKey
KTBZMJNRBAMQEU-UHFFFAOYSA-N
Compound name
N-(3-benzoyl-1,2-dihydroxyindol-6-yl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

378.15796 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.165236 187.3
[M+Na]+ 401.147178 192.0
[M-H]- 377.150684 194.0
[M+NH4]+ 396.191783 198.2
[M+K]+ 417.121118 186.6
[M+H-H2O]+ 361.155220 178.3
[M+HCOO]- 423.156161 203.7
[M+CH3COO]- 437.171811 195.8
[M+Na-2H]- 399.132626 186.9
[M]+ 378.15741142 184.1
[M]- 378.15850858 184.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.