CID 6448921

155271-75-3

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

7
Patents

384.17975 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.187026 193.5
[M+Na]+ 407.168968 206.1
[M-H]- 383.172474 197.4
[M+NH4]+ 402.213573 203.5
[M+K]+ 423.142908 199.9
[M+H-H2O]+ 367.177010 183.0
[M+HCOO]- 429.177951 213.2
[M+CH3COO]- 443.193601 221.9
[M+Na-2H]- 405.154416 194.2
[M]+ 384.17920142 203.5
[M]- 384.18029858 203.5
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