CID 6448852

155271-01-5

Structural Information

Molecular Formula

C₂₀H₂₄N₄O₄

SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=C(C(=CC=C3)OC)OC)C

InChI

InChI=1S/C20H24N4O4/c1-6-23-18-16(19(25)24(7-2)20(23)26)22(3)15(21-18)12-11-13-9-8-10-14(27-4)17(13)28-5/h8-12H,6-7H2,1-5H3/b12-11+

InChIKey

HMFNHSWZSIBCBY-VAWYXSNFSA-N

Compound name

8-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 384.17975 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	385.187026	193.7
[M+Na]+	407.168968	207.2
[M-H]-	383.172474	198.1
[M+NH4]+	402.213573	204.0
[M+K]+	423.142908	201.1
[M+H-H2O]+	367.177010	183.6
[M+HCOO]-	429.177951	213.4
[M+CH3COO]-	443.193601	223.3
[M+Na-2H]-	405.154416	193.7
[M]+	384.17920142	204.2
[M]-	384.18029858	204.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe