CID 395243

Nsc699719

Structural Information

Molecular Formula
C10H14N4O3
SMILES
C1=CN(C2=NC=NC(=C21)N)COC(CO)CO
InChI
InChI=1S/C10H14N4O3/c11-9-8-1-2-14(10(8)13-5-12-9)6-17-7(3-15)4-16/h1-2,5,7,15-16H,3-4,6H2,(H2,11,12,13)
InChIKey
DXQULPQYDXUEBM-UHFFFAOYSA-N
Compound name
2-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

238.1066 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11388 150.3
[M+Na]+ 261.09582 159.1
[M-H]- 237.09932 148.5
[M+NH4]+ 256.14042 165.1
[M+K]+ 277.06976 155.8
[M+H-H2O]+ 221.10386 142.4
[M+HCOO]- 283.10480 169.7
[M+CH3COO]- 297.12045 188.5
[M+Na-2H]- 259.08127 155.7
[M]+ 238.10605 152.1
[M]- 238.10715 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.