CID 395242

Nsc699718

Structural Information

Molecular Formula
C11H14N4O2
SMILES
C1=CN(C2=NC=NC(=C21)N)CC=C(CO)CO
InChI
InChI=1S/C11H14N4O2/c12-10-9-2-4-15(11(9)14-7-13-10)3-1-8(5-16)6-17/h1-2,4,7,16-17H,3,5-6H2,(H2,12,13,14)
InChIKey
OQSUHIUZWBMNIN-UHFFFAOYSA-N
Compound name
2-[2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)ethylidene]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11168 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11896 152.0
[M+Na]+ 257.10090 161.0
[M-H]- 233.10440 150.2
[M+NH4]+ 252.14550 167.1
[M+K]+ 273.07484 156.2
[M+H-H2O]+ 217.10894 144.2
[M+HCOO]- 279.10988 171.1
[M+CH3COO]- 293.12553 187.9
[M+Na-2H]- 255.08635 156.7
[M]+ 234.11113 152.0
[M]- 234.11223 152.0
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.