CID 470031

4,6-diamino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

Structural Information

Molecular Formula
C10H14N6O3
SMILES
C1=NC(=C2C(=C(N(C2=N1)COCCO)N)C(=O)N)N
InChI
InChI=1S/C10H14N6O3/c11-7-5-6(9(13)18)8(12)16(4-19-2-1-17)10(5)15-3-14-7/h3,17H,1-2,4,12H2,(H2,13,18)(H2,11,14,15)
InChIKey
ZVCZHIVZYNSHCZ-UHFFFAOYSA-N
Compound name
4,6-diamino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.11273 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12001 156.2
[M+Na]+ 289.10195 165.7
[M-H]- 265.10545 155.8
[M+NH4]+ 284.14655 169.8
[M+K]+ 305.07589 162.3
[M+H-H2O]+ 249.10999 148.0
[M+HCOO]- 311.11093 178.1
[M+CH3COO]- 325.12658 202.5
[M+Na-2H]- 287.08740 159.9
[M]+ 266.11218 156.6
[M]- 266.11328 156.6
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.