CID 1081323

476480-23-6

Structural Information

Molecular Formula
C20H21N5O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H21N5O2/c1-22(2)19-21-17-16(18(26)24(4)20(27)23(17)3)25(19)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11H,12H2,1-4H3
InChIKey
DNMSVYAGZVSDBJ-UHFFFAOYSA-N
Compound name
8-(dimethylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.16953 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.176806 190.0
[M+Na]+ 386.158748 203.2
[M-H]- 362.162254 196.6
[M+NH4]+ 381.203353 202.0
[M+K]+ 402.132688 196.8
[M+H-H2O]+ 346.166790 179.1
[M+HCOO]- 408.167731 210.3
[M+CH3COO]- 422.183381 201.3
[M+Na-2H]- 384.144196 193.3
[M]+ 363.16898142 197.3
[M]- 363.17007858 197.3
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.