CID 71295845

Sar131675

Structural Information

Molecular Formula
C18H22N4O4
SMILES
CCN1C(=C(C(=O)C2=C1N=C(C=C2)C#C[C@](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)/t18-/m1/s1
InChIKey
PFMPOBVAYMTUOX-GOSISDBHSA-N
Compound name
2-amino-1-ethyl-7-[(3R)-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

12
References

230
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

literature stripe

Patent stripe

patents stripe