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 193.8
[M+Na]+ 390.15365 204.4
[M-H]- 366.15715 191.1
[M+NH4]+ 385.19825 200.2
[M+K]+ 406.12759 196.4
[M+H-H2O]+ 350.16169 177.6
[M+HCOO]- 412.16263 203.3
[M+CH3COO]- 426.17828 218.7
[M+Na-2H]- 388.13910 194.2
[M]+ 367.16388 189.5
[M]- 367.16498 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