CID 479004

6-cyclopropyl-1,4-dimethyl-9-oxo-2,3-dihydropyrido[2,3-g]quinoxaline-8-carboxylic acid

Structural Information

Molecular Formula
C17H19N3O3
SMILES
CN1CCN(C2=C1C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)C
InChI
InChI=1S/C17H19N3O3/c1-18-5-6-19(2)15-8-13-11(7-14(15)18)16(21)12(17(22)23)9-20(13)10-3-4-10/h7-10H,3-6H2,1-2H3,(H,22,23)
InChIKey
XFEAXQUYJHMALG-UHFFFAOYSA-N
Compound name
6-cyclopropyl-1,4-dimethyl-9-oxo-2,3-dihydropyrido[2,3-g]quinoxaline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.14264 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14992 184.8
[M+Na]+ 336.13186 196.0
[M-H]- 312.13536 188.4
[M+NH4]+ 331.17646 192.3
[M+K]+ 352.10580 188.7
[M+H-H2O]+ 296.13990 175.6
[M+HCOO]- 358.14084 197.7
[M+CH3COO]- 372.15649 193.7
[M+Na-2H]- 334.11731 186.1
[M]+ 313.14209 187.0
[M]- 313.14319 187.0
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.