CID 2962706

371228-11-4

Structural Information

Molecular Formula
C17H21N5O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CCC3=CC=CC=C3
InChI
InChI=1S/C17H21N5O3/c1-20-14-13(15(24)21(2)17(20)25)22(16(19-14)18-9-11-23)10-8-12-6-4-3-5-7-12/h3-7,23H,8-11H2,1-2H3,(H,18,19)
InChIKey
HXCRYXUYHRRWBO-UHFFFAOYSA-N
Compound name
8-(2-hydroxyethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

343.16443 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.17171 181.8
[M+Na]+ 366.15365 196.0
[M+NH4]+ 361.19825 186.4
[M+K]+ 382.12759 191.6
[M-H]- 342.15715 183.1
[M+Na-2H]- 364.13910 187.1
[M]+ 343.16388 184.0
[M]- 343.16498 184.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.