CID 171645308

Schembl27397994

Structural Information

Molecular Formula
C17H16N4O2
SMILES
CC1=C(C(=C(C=C1)O)C)C2=C(C(=CC3=NC=CN=C32)C(=O)N)N
InChI
InChI=1S/C17H16N4O2/c1-8-3-4-12(22)9(2)13(8)14-15(18)10(17(19)23)7-11-16(14)21-6-5-20-11/h3-7,22H,18H2,1-2H3,(H2,19,23)
InChIKey
RARXBLCJKXPTCO-UHFFFAOYSA-N
Compound name
7-amino-8-(3-hydroxy-2,6-dimethylphenyl)quinoxaline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

308.12732 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.134596 174.8
[M+Na]+ 331.116538 184.7
[M-H]- 307.120044 178.9
[M+NH4]+ 326.161143 186.8
[M+K]+ 347.090478 178.8
[M+H-H2O]+ 291.124580 165.8
[M+HCOO]- 353.125521 194.0
[M+CH3COO]- 367.141171 212.5
[M+Na-2H]- 329.101986 177.5
[M]+ 308.12677142 173.6
[M]- 308.12786858 173.6
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

patents stripe