CID 380871

Nsc666614

Structural Information

Molecular Formula
C18H16N2O5
SMILES
COC1=NC2=C(C=C(C=C2)COC3=CC=C(C=C3)C(=O)O)N=C1OC
InChI
InChI=1S/C18H16N2O5/c1-23-16-17(24-2)20-15-9-11(3-8-14(15)19-16)10-25-13-6-4-12(5-7-13)18(21)22/h3-9H,10H2,1-2H3,(H,21,22)
InChIKey
MILBAILGYRQYOQ-UHFFFAOYSA-N
Compound name
4-[(2,3-dimethoxyquinoxalin-6-yl)methoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.10593 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11321 177.7
[M+Na]+ 363.09515 186.2
[M-H]- 339.09865 181.7
[M+NH4]+ 358.13975 188.4
[M+K]+ 379.06909 182.7
[M+H-H2O]+ 323.10319 167.5
[M+HCOO]- 385.10413 196.1
[M+CH3COO]- 399.11978 209.9
[M+Na-2H]- 361.08060 182.5
[M]+ 340.10538 183.1
[M]- 340.10648 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.