CID 3069976

1h-imidazo(2,1-f)purine-2,4(3h,8h)-dione, 8-(2-hydroxyethyl)-1-methyl-3-(oxiranylmethyl)-7-phenyl-

Structural Information

Molecular Formula
C19H19N5O4
SMILES
CN1C2=C(C(=O)N(C1=O)CC3CO3)N4C=C(N(C4=N2)CCO)C5=CC=CC=C5
InChI
InChI=1S/C19H19N5O4/c1-21-16-15(17(26)24(19(21)27)9-13-11-28-13)23-10-14(12-5-3-2-4-6-12)22(7-8-25)18(23)20-16/h2-6,10,13,25H,7-9,11H2,1H3
InChIKey
IDBONBIXCMEJQA-UHFFFAOYSA-N
Compound name
6-(2-hydroxyethyl)-4-methyl-2-(oxiran-2-ylmethyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.1437 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15098 202.4
[M+Na]+ 404.13292 218.2
[M-H]- 380.13642 209.5
[M+NH4]+ 399.17752 207.2
[M+K]+ 420.10686 209.6
[M+H-H2O]+ 364.14096 193.5
[M+HCOO]- 426.14190 220.1
[M+CH3COO]- 440.15755 212.3
[M+Na-2H]- 402.11837 202.2
[M]+ 381.14315 213.2
[M]- 381.14425 213.2
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

No patent data available for this compound.