CID 3007967

Chembl291874

Structural Information

Molecular Formula
C11H16N4O3
SMILES
CC1=CN(C2=NC=NC(=C12)N)COC(CO)CO
InChI
InChI=1S/C11H16N4O3/c1-7-2-15(6-18-8(3-16)4-17)11-9(7)10(12)13-5-14-11/h2,5,8,16-17H,3-4,6H2,1H3,(H2,12,13,14)
InChIKey
MJYJIOHGOXHQBI-UHFFFAOYSA-N
Compound name
2-[(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.12224 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12952 155.7
[M+Na]+ 275.11146 164.9
[M-H]- 251.11496 154.1
[M+NH4]+ 270.15606 170.2
[M+K]+ 291.08540 161.4
[M+H-H2O]+ 235.11950 147.9
[M+HCOO]- 297.12044 174.7
[M+CH3COO]- 311.13609 192.8
[M+Na-2H]- 273.09691 159.7
[M]+ 252.12169 158.2
[M]- 252.12279 158.2
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.