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]+ 364.17681 190.0
[M+Na]+ 386.15875 203.2
[M-H]- 362.16225 196.6
[M+NH4]+ 381.20335 202.0
[M+K]+ 402.13269 196.8
[M+H-H2O]+ 346.16679 179.1
[M+HCOO]- 408.16773 210.3
[M+CH3COO]- 422.18338 201.3
[M+Na-2H]- 384.14420 193.3
[M]+ 363.16898 197.3
[M]- 363.17008 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.