CID 67081200

1092539-44-0

Structural Information

Molecular Formula
C18H22N4O4
SMILES
CCN1C(=C(C(=O)C2=C1N=C(C=C2)C#CC(C)(COC)O)C(=O)NC)N
InChI
InChI=1S/C18H22N4O4/c1-5-22-15(19)13(17(24)20-3)14(23)12-7-6-11(21-16(12)22)8-9-18(2,25)10-26-4/h6-7,25H,5,10,19H2,1-4H3,(H,20,24)
InChIKey
PFMPOBVAYMTUOX-UHFFFAOYSA-N
Compound name
2-amino-1-ethyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

242
Patents

358.1641 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17138 190.5
[M+Na]+ 381.15332 199.4
[M-H]- 357.15682 188.8
[M+NH4]+ 376.19792 199.0
[M+K]+ 397.12726 194.7
[M+H-H2O]+ 341.16136 176.3
[M+HCOO]- 403.16230 201.8
[M+CH3COO]- 417.17795 223.4
[M+Na-2H]- 379.13877 191.1
[M]+ 358.16355 186.8
[M]- 358.16465 186.8
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.