CID 20249944

88338-55-0

Structural Information

Molecular Formula
C16H23N7O3
SMILES
CC(C)NCCC1=NC(=NO1)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C16H23N7O3/c1-10(2)17-7-5-12-19-11(20-26-12)6-8-23-9-18-14-13(23)15(24)22(4)16(25)21(14)3/h9-10,17H,5-8H2,1-4H3
InChIKey
WVIWDDRYVYMOOL-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-[2-[5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethyl]purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

361.18625 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.19353 188.0
[M+Na]+ 384.17547 200.1
[M-H]- 360.17897 190.9
[M+NH4]+ 379.22007 196.4
[M+K]+ 400.14941 195.9
[M+H-H2O]+ 344.18351 178.0
[M+HCOO]- 406.18445 206.1
[M+CH3COO]- 420.20010 220.1
[M+Na-2H]- 382.16092 188.0
[M]+ 361.18570 196.8
[M]- 361.18680 196.8
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