CID 386043

Nsc677609

Structural Information

Molecular Formula
C11H17N5O3
SMILES
CN1C=NC2=C1C(=O)N(C(=O)N2C)CCNCCO
InChI
InChI=1S/C11H17N5O3/c1-14-7-13-9-8(14)10(18)16(11(19)15(9)2)5-3-12-4-6-17/h7,12,17H,3-6H2,1-2H3
InChIKey
GCBYEJFGRAZNDG-UHFFFAOYSA-N
Compound name
1-[2-(2-hydroxyethylamino)ethyl]-3,7-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.13315 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14043 159.8
[M+Na]+ 290.12237 172.1
[M-H]- 266.12587 159.4
[M+NH4]+ 285.16697 173.8
[M+K]+ 306.09631 167.7
[M+H-H2O]+ 250.13041 151.5
[M+HCOO]- 312.13135 180.7
[M+CH3COO]- 326.14700 198.9
[M+Na-2H]- 288.10782 164.6
[M]+ 267.13260 165.6
[M]- 267.13370 165.6
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

No patent data available for this compound.