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]+ 359.171376 190.5
[M+Na]+ 381.153318 199.4
[M-H]- 357.156824 188.8
[M+NH4]+ 376.197923 199.0
[M+K]+ 397.127258 194.7
[M+H-H2O]+ 341.161360 176.3
[M+HCOO]- 403.162301 201.8
[M+CH3COO]- 417.177951 223.4
[M+Na-2H]- 379.138766 191.1
[M]+ 358.16355142 186.8
[M]- 358.16464858 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

literature stripe

Patent stripe

patents stripe