CID 514109

Chembl280445

Structural Information

Molecular Formula
C19H14N4O4
SMILES
CC(=O)C1=C(N(C2=C1C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)O)O
InChI
InChI=1S/C19H14N4O4/c1-10(24)17-12-7-6-11(8-16(12)23(27)19(17)26)21-18(25)15-9-20-13-4-2-3-5-14(13)22-15/h2-9,26-27H,1H3,(H,21,25)
InChIKey
LNYFPFSFEGBEKM-UHFFFAOYSA-N
Compound name
N-(3-acetyl-1,2-dihydroxyindol-6-yl)quinoxaline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

362.1015 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10878 182.6
[M+Na]+ 385.09072 192.3
[M-H]- 361.09422 186.3
[M+NH4]+ 380.13532 193.1
[M+K]+ 401.06466 186.6
[M+H-H2O]+ 345.09876 173.4
[M+HCOO]- 407.09970 199.8
[M+CH3COO]- 421.11535 192.3
[M+Na-2H]- 383.07617 186.6
[M]+ 362.10095 185.3
[M]- 362.10205 185.3
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.