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]+ 328.165576 188.9
[M+Na]+ 350.147518 199.7
[M-H]- 326.151024 192.4
[M+NH4]+ 345.192123 195.9
[M+K]+ 366.121458 192.1
[M+H-H2O]+ 310.155560 179.5
[M+HCOO]- 372.156501 201.4
[M+CH3COO]- 386.172151 197.3
[M+Na-2H]- 348.132966 189.7
[M]+ 327.15775142 191.5
[M]- 327.15884858 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.