CID 387372

Nsc681124

Structural Information

Molecular Formula
C17H15N3O3
SMILES
COC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N=C2C(=O)O
InChI
InChI=1S/C17H15N3O3/c1-23-12-8-6-11(7-9-12)10-18-16-15(17(21)22)19-13-4-2-3-5-14(13)20-16/h2-9H,10H2,1H3,(H,18,20)(H,21,22)
InChIKey
UPKSFROHRNKAPX-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)methylamino]quinoxaline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.11133 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11861 170.4
[M+Na]+ 332.10055 178.1
[M-H]- 308.10405 174.2
[M+NH4]+ 327.14515 182.1
[M+K]+ 348.07449 173.3
[M+H-H2O]+ 292.10859 160.6
[M+HCOO]- 354.10953 190.0
[M+CH3COO]- 368.12518 206.5
[M+Na-2H]- 330.08600 177.1
[M]+ 309.11078 171.8
[M]- 309.11188 171.8
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.