CID 1081329

476480-69-0

Structural Information

Molecular Formula
C19H25N5O3
SMILES
CC1=CC=C(C=C1)CN2C3=C(N=C2OCCN(C)C)N(C(=O)N(C3=O)C)C
InChI
InChI=1S/C19H25N5O3/c1-13-6-8-14(9-7-13)12-24-15-16(20-18(24)27-11-10-21(2)3)22(4)19(26)23(5)17(15)25/h6-9H,10-12H2,1-5H3
InChIKey
WLTDHIIIQKEBEB-UHFFFAOYSA-N
Compound name
8-[2-(dimethylamino)ethoxy]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.19574 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.20302 189.7
[M+Na]+ 394.18496 204.5
[M+NH4]+ 389.22956 194.5
[M+K]+ 410.15890 200.0
[M-H]- 370.18846 191.8
[M+Na-2H]- 392.17041 195.1
[M]+ 371.19519 192.3
[M]- 371.19629 192.3
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.