CID 3010397

Chembl305342

Structural Information

Molecular Formula
C11H15BrN4O2
SMILES
CCNC1=C2C(=CN(C2=NC=N1)COCCO)Br
InChI
InChI=1S/C11H15BrN4O2/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
KWIPLVJTMRWKGE-UHFFFAOYSA-N
Compound name
2-[[5-bromo-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

314.03784 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04512 159.3
[M+Na]+ 337.02706 172.0
[M-H]- 313.03056 162.0
[M+NH4]+ 332.07166 176.2
[M+K]+ 353.00100 160.0
[M+H-H2O]+ 297.03510 157.1
[M+HCOO]- 359.03604 178.9
[M+CH3COO]- 373.05169 201.7
[M+Na-2H]- 335.01251 166.8
[M]+ 314.03729 182.0
[M]- 314.03839 182.0
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.