CID 45357035

Akos015960739

Structural Information

Molecular Formula
C12H17N3O4
SMILES
CC1C(N(C2=CC=CC=C2N1O)O)C(=O)NCCO
InChI
InChI=1S/C12H17N3O4/c1-8-11(12(17)13-6-7-16)15(19)10-5-3-2-4-9(10)14(8)18/h2-5,8,11,16,18-19H,6-7H2,1H3,(H,13,17)
InChIKey
JEDQIVOANUZTDG-UHFFFAOYSA-N
Compound name
1,4-dihydroxy-N-(2-hydroxyethyl)-3-methyl-2,3-dihydroquinoxaline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12192 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.129196 160.4
[M+Na]+ 290.111138 167.1
[M-H]- 266.114644 158.3
[M+NH4]+ 285.155743 173.3
[M+K]+ 306.085078 163.6
[M+H-H2O]+ 250.119180 153.2
[M+HCOO]- 312.120121 174.7
[M+CH3COO]- 326.135771 194.6
[M+Na-2H]- 288.096586 163.5
[M]+ 267.12137142 158.1
[M]- 267.12246858 158.1
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.