CID 60148

Brn 1092139

Structural Information

Molecular Formula
C17H21N5O3
SMILES
CC(C(C1=CC=CC=C1)O)NC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C17H21N5O3/c1-10(13(23)11-8-6-5-7-9-11)18-16-19-14-12(20(16)2)15(24)22(4)17(25)21(14)3/h5-10,13,23H,1-4H3,(H,18,19)
InChIKey
NYGMAEUJKDAYMA-UHFFFAOYSA-N
Compound name
8-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3,7-trimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.16443 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.17171 180.6
[M+Na]+ 366.15365 194.0
[M+NH4]+ 361.19825 184.9
[M+K]+ 382.12759 191.3
[M-H]- 342.15715 181.5
[M+Na-2H]- 364.13910 185.3
[M]+ 343.16388 182.5
[M]- 343.16498 182.5
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.