CID 3010396

Chembl294816

Structural Information

Molecular Formula
C11H15ClN4O2
SMILES
CCNC1=C2C(=CN(C2=NC=N1)COCCO)Cl
InChI
InChI=1S/C11H15ClN4O2/c1-2-13-10-9-8(12)5-16(7-18-4-3-17)11(9)15-6-14-10/h5-6,17H,2-4,7H2,1H3,(H,13,14,15)
InChIKey
XQLAUOLHIFFNDF-UHFFFAOYSA-N
Compound name
2-[[5-chloro-4-(ethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.08835 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09563 157.7
[M+Na]+ 293.07757 168.5
[M-H]- 269.08107 157.5
[M+NH4]+ 288.12217 173.4
[M+K]+ 309.05151 163.3
[M+H-H2O]+ 253.08561 149.8
[M+HCOO]- 315.08655 174.9
[M+CH3COO]- 329.10220 196.3
[M+Na-2H]- 291.06302 163.7
[M]+ 270.08780 164.0
[M]- 270.08890 164.0
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.