CID 937274

476480-59-8

Structural Information

Molecular Formula
C19H19N5O2
SMILES
CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C19H19N5O2/c1-22(2)18-20-16-15(17(25)21-19(26)23(16)3)24(18)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10H,11H2,1-3H3,(H,21,25,26)
InChIKey
KJPVWBVQEPCNID-UHFFFAOYSA-N
Compound name
8-(dimethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.15387 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.16115 184.7
[M+Na]+ 372.14309 197.0
[M-H]- 348.14659 189.8
[M+NH4]+ 367.18769 196.3
[M+K]+ 388.11703 190.1
[M+H-H2O]+ 332.15113 174.1
[M+HCOO]- 394.15207 204.0
[M+CH3COO]- 408.16772 195.4
[M+Na-2H]- 370.12854 189.0
[M]+ 349.15332 189.6
[M]- 349.15442 189.6
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.