CID 375733

Nsc655742

Structural Information

Molecular Formula
C12H15N5O3
SMILES
CN1C2=NC=C(N=C2C(=O)N(C1=O)C)N3CCOCC3
InChI
InChI=1S/C12H15N5O3/c1-15-10-9(11(18)16(2)12(15)19)14-8(7-13-10)17-3-5-20-6-4-17/h7H,3-6H2,1-2H3
InChIKey
QEYMZRBNZLEBPJ-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-morpholin-4-ylpteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1175 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12478 167.2
[M+Na]+ 300.10672 178.1
[M-H]- 276.11022 169.1
[M+NH4]+ 295.15132 176.2
[M+K]+ 316.08066 174.3
[M+H-H2O]+ 260.11476 155.9
[M+HCOO]- 322.11570 180.4
[M+CH3COO]- 336.13135 177.4
[M+Na-2H]- 298.09217 172.3
[M]+ 277.11695 167.7
[M]- 277.11805 167.7
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.