CID 71001861

Evt801

Structural Information

Molecular Formula
C19H21N5O3
SMILES
CCN1C(=C(C(=O)C2=C1N=C(C=C2)C#C[C@](C)(COC)O)C3=NC=CN3)N
InChI
InChI=1S/C19H21N5O3/c1-4-24-16(20)14(17-21-9-10-22-17)15(25)13-6-5-12(23-18(13)24)7-8-19(2,26)11-27-3/h5-6,9-10,26H,4,11,20H2,1-3H3,(H,21,22)/t19-/m1/s1
InChIKey
FQPLKTQWEHDNAB-LJQANCHMSA-N
Compound name
2-amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-3-(1H-imidazol-2-yl)-1,8-naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

367.16443 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.17171 189.1
[M+Na]+ 390.15365 200.9
[M+NH4]+ 385.19825 189.6
[M+K]+ 406.12759 194.4
[M-H]- 366.15715 181.1
[M+Na-2H]- 388.13910 190.0
[M]+ 367.16388 187.5
[M]- 367.16498 187.5
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

patents stripe