CID 365163

Nsc632302

Structural Information

Molecular Formula
C10H11N5O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N3CCC(=O)NC3=N2
InChI
InChI=1S/C10H11N5O3/c1-13-7-6(8(17)14(2)10(13)18)15-4-3-5(16)11-9(15)12-7/h3-4H2,1-2H3,(H,11,12,16)
InChIKey
SDPVZTYKQKYYQX-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrimidine-2,4,8-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.08618 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09346 156.4
[M+Na]+ 272.07540 170.6
[M-H]- 248.07890 155.6
[M+NH4]+ 267.12000 170.9
[M+K]+ 288.04934 165.1
[M+H-H2O]+ 232.08344 148.2
[M+HCOO]- 294.08438 172.1
[M+CH3COO]- 308.10003 168.2
[M+Na-2H]- 270.06085 160.8
[M]+ 249.08563 158.8
[M]- 249.08673 158.8
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

No patent data available for this compound.