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]+ 435.25028 210.8
[M+Na]+ 457.23222 221.0
[M-H]- 433.23572 216.6
[M+NH4]+ 452.27682 219.5
[M+K]+ 473.20616 214.1
[M+H-H2O]+ 417.24026 198.9
[M+HCOO]- 479.24120 230.7
[M+CH3COO]- 493.25685 241.7
[M+Na-2H]- 455.21767 213.0
[M]+ 434.24245 218.7
[M]- 434.24355 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.