CID 3069977

85592-18-3

Structural Information

Molecular Formula
C19H21N5O4
SMILES
CC(CN1C(=O)C2=C(N=C3N2C=C(N3CCO)C4=CC=CC=C4)N(C1=O)C)O
InChI
InChI=1S/C19H21N5O4/c1-12(26)10-24-17(27)15-16(21(2)19(24)28)20-18-22(8-9-25)14(11-23(15)18)13-6-4-3-5-7-13/h3-7,11-12,25-26H,8-10H2,1-2H3
InChIKey
IEBGBVWJCFRYHC-UHFFFAOYSA-N
Compound name
6-(2-hydroxyethyl)-2-(2-hydroxypropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.15936 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.16664 191.6
[M+Na]+ 406.14858 206.2
[M+NH4]+ 401.19318 195.6
[M+K]+ 422.12252 204.8
[M-H]- 382.15208 191.5
[M+Na-2H]- 404.13403 195.0
[M]+ 383.15881 193.5
[M]- 383.15991 193.5
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

No patent data available for this compound.