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]+ 372.203016 190.6
[M+Na]+ 394.184958 202.8
[M-H]- 370.188464 196.2
[M+NH4]+ 389.229563 201.6
[M+K]+ 410.158898 198.0
[M+H-H2O]+ 354.193000 180.1
[M+HCOO]- 416.193941 211.9
[M+CH3COO]- 430.209591 226.5
[M+Na-2H]- 392.170406 191.9
[M]+ 371.19519142 200.3
[M]- 371.19628858 200.3
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.