CID 383925

Nsc672881

Structural Information

Molecular Formula
C18H17N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)NC2=NC3=CC=CC=C3N=C2C(=O)O
InChI
InChI=1S/C18H17N3O5/c1-24-13-8-10(9-14(25-2)16(13)26-3)19-17-15(18(22)23)20-11-6-4-5-7-12(11)21-17/h4-9H,1-3H3,(H,19,21)(H,22,23)
InChIKey
RUOIAZMYQGLYND-UHFFFAOYSA-N
Compound name
3-(3,4,5-trimethoxyanilino)quinoxaline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.11682 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12410 181.4
[M+Na]+ 378.10604 189.8
[M-H]- 354.10954 185.8
[M+NH4]+ 373.15064 191.5
[M+K]+ 394.07998 186.5
[M+H-H2O]+ 338.11408 171.2
[M+HCOO]- 400.11502 200.8
[M+CH3COO]- 414.13067 216.5
[M+Na-2H]- 376.09149 186.2
[M]+ 355.11627 186.7
[M]- 355.11737 186.7
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.