CID 3010390

Chembl293000

Structural Information

Molecular Formula
C10H14N4O2
SMILES
CNC1=C2C=CN(C2=NC=N1)COCCO
InChI
InChI=1S/C10H14N4O2/c1-11-9-8-2-3-14(7-16-5-4-15)10(8)13-6-12-9/h2-3,6,15H,4-5,7H2,1H3,(H,11,12,13)
InChIKey
QMAROUMNVHNVMO-UHFFFAOYSA-N
Compound name
2-[[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.11168 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11896 146.6
[M+Na]+ 245.10090 156.4
[M-H]- 221.10440 146.5
[M+NH4]+ 240.14550 163.2
[M+K]+ 261.07484 153.1
[M+H-H2O]+ 205.10894 138.4
[M+HCOO]- 267.10988 169.0
[M+CH3COO]- 281.12553 188.4
[M+Na-2H]- 243.08635 154.5
[M]+ 222.11113 150.5
[M]- 222.11223 150.5
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.