CID 3010394

Chembl302448

Structural Information

Molecular Formula
C10H13ClN4O2
SMILES
CNC1=C2C(=CN(C2=NC=N1)COCCO)Cl
InChI
InChI=1S/C10H13ClN4O2/c1-12-9-8-7(11)4-15(6-17-3-2-16)10(8)14-5-13-9/h4-5,16H,2-3,6H2,1H3,(H,12,13,14)
InChIKey
XWRQANAXDJBZQE-UHFFFAOYSA-N
Compound name
2-[[5-chloro-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

256.0727 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07998 153.2
[M+Na]+ 279.06192 164.4
[M-H]- 255.06542 153.1
[M+NH4]+ 274.10652 169.4
[M+K]+ 295.03586 159.5
[M+H-H2O]+ 239.06996 145.5
[M+HCOO]- 301.07090 170.7
[M+CH3COO]- 315.08655 193.3
[M+Na-2H]- 277.04737 159.7
[M]+ 256.07215 159.1
[M]- 256.07325 159.1
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.