CID 514126

Chembl16579

Structural Information

Molecular Formula
C20H16N4O4
SMILES
CCC(=O)C1=C(N(C2=C1C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)O)O
InChI
InChI=1S/C20H16N4O4/c1-2-17(25)18-12-8-7-11(9-16(12)24(28)20(18)27)22-19(26)15-10-21-13-5-3-4-6-14(13)23-15/h3-10,27-28H,2H2,1H3,(H,22,26)
InChIKey
SVLXVMIWXRYLMT-UHFFFAOYSA-N
Compound name
N-(1,2-dihydroxy-3-propanoylindol-6-yl)quinoxaline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

376.11716 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.12444 187.0
[M+Na]+ 399.10638 196.2
[M-H]- 375.10988 190.5
[M+NH4]+ 394.15098 196.9
[M+K]+ 415.08032 190.4
[M+H-H2O]+ 359.11442 177.6
[M+HCOO]- 421.11536 203.9
[M+CH3COO]- 435.13101 196.3
[M+Na-2H]- 397.09183 190.5
[M]+ 376.11661 190.0
[M]- 376.11771 190.0
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.