CID 66545093

1357147-41-1

Structural Information

Molecular Formula
C14H17N3O4
SMILES
CCOC(=O)C1=C2C=CN(C2=NC=N1)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H17N3O4/c1-5-20-12(18)10-9-6-7-17(11(9)16-8-15-10)13(19)21-14(2,3)4/h6-8H,5H2,1-4H3
InChIKey
XWJWIGDIHMKNHJ-UHFFFAOYSA-N
Compound name
7-O-tert-butyl 4-O-ethyl pyrrolo[2,3-d]pyrimidine-4,7-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.12192 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12920 165.3
[M+Na]+ 314.11114 176.3
[M+NH4]+ 309.15574 169.9
[M+K]+ 330.08508 174.8
[M-H]- 290.11464 163.0
[M+Na-2H]- 312.09659 168.7
[M]+ 291.12137 165.9
[M]- 291.12247 165.9
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.