CID 479005

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

Structural Information

Molecular Formula
C18H21N3O3
SMILES
CCN1CCN(C2=C1C=C3C(=C2)C(=O)C(=CN3C4CC4)C(=O)O)C
InChI
InChI=1S/C18H21N3O3/c1-3-20-7-6-19(2)15-8-12-14(9-16(15)20)21(11-4-5-11)10-13(17(12)22)18(23)24/h8-11H,3-7H2,1-2H3,(H,23,24)
InChIKey
BPJILQDKGGUZGK-UHFFFAOYSA-N
Compound name
6-cyclopropyl-4-ethyl-1-methyl-9-oxo-2,3-dihydropyrido[3,2-g]quinoxaline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.1583 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.16558 188.9
[M+Na]+ 350.14752 199.7
[M-H]- 326.15102 192.4
[M+NH4]+ 345.19212 195.9
[M+K]+ 366.12146 192.1
[M+H-H2O]+ 310.15556 179.5
[M+HCOO]- 372.15650 201.4
[M+CH3COO]- 386.17215 197.3
[M+Na-2H]- 348.13297 189.7
[M]+ 327.15775 191.5
[M]- 327.15885 191.5
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.