CID 6448921

(e)-1,3-diethyl-8-(4-methoxymethoxystyryl)-7-methylxanthine

Structural Information

Molecular Formula
C20H24N4O4
SMILES
CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC=C(C=C3)OCOC)C
InChI
InChI=1S/C20H24N4O4/c1-5-23-18-17(19(25)24(6-2)20(23)26)22(3)16(21-18)12-9-14-7-10-15(11-8-14)28-13-27-4/h7-12H,5-6,13H2,1-4H3/b12-9+
InChIKey
PKRUEBIYPBUOJK-FMIVXFBMSA-N
Compound name
1,3-diethyl-8-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]-7-methylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

384.17975 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.18703 194.0
[M+Na]+ 407.16897 209.3
[M+NH4]+ 402.21357 198.1
[M+K]+ 423.14291 204.0
[M-H]- 383.17247 194.8
[M+Na-2H]- 405.15442 198.6
[M]+ 384.17920 196.3
[M]- 384.18030 196.3
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