CID 154869127

2384166-11-2

Structural Information

Molecular Formula
C13H18N4O4
SMILES
CC(C)(C)OC(=O)N1CCNC2=C(N=CN=C21)C(=O)OC
InChI
InChI=1S/C13H18N4O4/c1-13(2,3)21-12(19)17-6-5-14-8-9(11(18)20-4)15-7-16-10(8)17/h7,14H,5-6H2,1-4H3
InChIKey
GMGFSAQSQGUOJF-UHFFFAOYSA-N
Compound name
8-O-tert-butyl 4-O-methyl 6,7-dihydro-5H-pteridine-4,8-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1328 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14008 170.4
[M+Na]+ 317.12202 177.2
[M-H]- 293.12552 167.9
[M+NH4]+ 312.16662 180.7
[M+K]+ 333.09596 174.9
[M+H-H2O]+ 277.13006 161.8
[M+HCOO]- 339.13100 181.3
[M+CH3COO]- 353.14665 198.7
[M+Na-2H]- 315.10747 174.6
[M]+ 294.13225 170.8
[M]- 294.13335 170.8
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.