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

25
Patents

367.16443 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.171706 193.8
[M+Na]+ 390.153648 204.4
[M-H]- 366.157154 191.1
[M+NH4]+ 385.198253 200.2
[M+K]+ 406.127588 196.4
[M+H-H2O]+ 350.161690 177.6
[M+HCOO]- 412.162631 203.3
[M+CH3COO]- 426.178281 218.7
[M+Na-2H]- 388.139096 194.2
[M]+ 367.16388142 189.5
[M]- 367.16497858 189.5
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