CID 1259589

309938-20-3

Structural Information

Molecular Formula
C24H30N6O2
SMILES
CCN(CC)CCNC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C24H30N6O2/c1-5-29(6-2)15-14-25-23-26-21-20(22(31)28(4)24(32)27(21)3)30(23)16-18-12-9-11-17-10-7-8-13-19(17)18/h7-13H,5-6,14-16H2,1-4H3,(H,25,26)
InChIKey
ICKJOJVFAOJRSD-UHFFFAOYSA-N
Compound name
8-[2-(diethylamino)ethylamino]-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

434.243 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.250276 210.8
[M+Na]+ 457.232218 221.0
[M-H]- 433.235724 216.6
[M+NH4]+ 452.276823 219.5
[M+K]+ 473.206158 214.1
[M+H-H2O]+ 417.240260 198.9
[M+HCOO]- 479.241201 230.7
[M+CH3COO]- 493.256851 241.7
[M+Na-2H]- 455.217666 213.0
[M]+ 434.24245142 218.7
[M]- 434.24354858 218.7
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.