CID 384957

Nsc675781

Structural Information

Molecular Formula
C18H17N3O4
SMILES
COC1=C(C=C(C=C1)CNC2=NC3=CC=CC=C3N=C2C(=O)O)OC
InChI
InChI=1S/C18H17N3O4/c1-24-14-8-7-11(9-15(14)25-2)10-19-17-16(18(22)23)20-12-5-3-4-6-13(12)21-17/h3-9H,10H2,1-2H3,(H,19,21)(H,22,23)
InChIKey
QHVFHNDRKFRACU-UHFFFAOYSA-N
Compound name
3-[(3,4-dimethoxyphenyl)methylamino]quinoxaline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.12192 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12920 178.3
[M+Na]+ 362.11114 186.1
[M-H]- 338.11464 182.3
[M+NH4]+ 357.15574 188.8
[M+K]+ 378.08508 181.9
[M+H-H2O]+ 322.11918 168.1
[M+HCOO]- 384.12012 197.6
[M+CH3COO]- 398.13577 212.9
[M+Na-2H]- 360.09659 183.7
[M]+ 339.12137 181.7
[M]- 339.12247 181.7
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.