CID 375732

Nsc655741

Structural Information

Molecular Formula
C13H17N5O2
SMILES
CN1C2=NC=C(N=C2C(=O)N(C1=O)C)N3CCCCC3
InChI
InChI=1S/C13H17N5O2/c1-16-11-10(12(19)17(2)13(16)20)15-9(8-14-11)18-6-4-3-5-7-18/h8H,3-7H2,1-2H3
InChIKey
ZEWWMKSKZVDOBR-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-piperidin-1-ylpteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1382 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14548 167.9
[M+Na]+ 298.12742 178.3
[M-H]- 274.13092 168.9
[M+NH4]+ 293.17202 178.3
[M+K]+ 314.10136 172.8
[M+H-H2O]+ 258.13546 156.7
[M+HCOO]- 320.13640 181.5
[M+CH3COO]- 334.15205 177.7
[M+Na-2H]- 296.11287 172.3
[M]+ 275.13765 166.8
[M]- 275.13875 166.8
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.