CID 3073780

152534-50-4

Structural Information

Molecular Formula
C20H26N4O2
SMILES
C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)NC(=N3)C(C5CC5)C6CC6
InChI
InChI=1S/C20H26N4O2/c25-19-16-18(22-17(21-16)15(13-5-6-13)14-7-8-14)23(9-11-1-2-11)20(26)24(19)10-12-3-4-12/h11-15H,1-10H2,(H,21,22)
InChIKey
HQDMHJBLCDOQBT-UHFFFAOYSA-N
Compound name
1,3-bis(cyclopropylmethyl)-8-(dicyclopropylmethyl)-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

354.20557 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21285 214.4
[M+Na]+ 377.19479 214.3
[M-H]- 353.19829 217.5
[M+NH4]+ 372.23939 206.3
[M+K]+ 393.16873 211.4
[M+H-H2O]+ 337.20283 210.6
[M+HCOO]- 399.20377 219.8
[M+CH3COO]- 413.21942 212.7
[M+Na-2H]- 375.18024 204.9
[M]+ 354.20502 216.2
[M]- 354.20612 216.2
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

patents stripe