CID 24844068

88338-07-2

Structural Information

Molecular Formula
C17H25N7O3
SMILES
CCN(CC)CCC1=NC(=NO1)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C17H25N7O3/c1-5-23(6-2)9-8-13-19-12(20-27-13)7-10-24-11-18-15-14(24)16(25)22(4)17(26)21(15)3/h11H,5-10H2,1-4H3
InChIKey
PEQNJDXSAFQTSZ-UHFFFAOYSA-N
Compound name
7-[2-[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

375.20187 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20915 191.8
[M+Na]+ 398.19109 203.8
[M-H]- 374.19459 195.7
[M+NH4]+ 393.23569 200.2
[M+K]+ 414.16503 200.2
[M+H-H2O]+ 358.19913 181.2
[M+HCOO]- 420.20007 210.9
[M+CH3COO]- 434.21572 225.1
[M+Na-2H]- 396.17654 191.6
[M]+ 375.20132 202.6
[M]- 375.20242 202.6
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

patents stripe