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]+ 379.16524 187.3
[M+Na]+ 401.14718 192.0
[M-H]- 377.15068 194.0
[M+NH4]+ 396.19178 198.2
[M+K]+ 417.12112 186.6
[M+H-H2O]+ 361.15522 178.3
[M+HCOO]- 423.15616 203.7
[M+CH3COO]- 437.17181 195.8
[M+Na-2H]- 399.13263 186.9
[M]+ 378.15741 184.1
[M]- 378.15851 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.