CID 3584445

476480-75-8

Structural Information

Molecular Formula
C11H17N5O2
SMILES
CCCCN1C2=C(N=C1NC)N(C(=O)NC2=O)C
InChI
InChI=1S/C11H17N5O2/c1-4-5-6-16-7-8(13-10(16)12-2)15(3)11(18)14-9(7)17/h4-6H2,1-3H3,(H,12,13)(H,14,17,18)
InChIKey
RZHHYVOCXKFZHI-UHFFFAOYSA-N
Compound name
7-butyl-3-methyl-8-(methylamino)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.13823 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14551 157.4
[M+Na]+ 274.12745 170.0
[M-H]- 250.13095 157.0
[M+NH4]+ 269.17205 172.3
[M+K]+ 290.10139 164.9
[M+H-H2O]+ 234.13549 149.3
[M+HCOO]- 296.13643 178.2
[M+CH3COO]- 310.15208 196.7
[M+Na-2H]- 272.11290 162.1
[M]+ 251.13768 161.9
[M]- 251.13878 161.9
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.