CID 451983

Dd-4-cl-pyrrolopyrimidine

Structural Information

Molecular Formula
C11H12ClN3O2
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=CC3=C2N=CN=C3Cl
InChI
InChI=1S/C11H12ClN3O2/c12-10-8-3-4-15(11(8)14-6-13-10)9-2-1-7(5-16)17-9/h3-4,6-7,9,16H,1-2,5H2/t7-,9+/m0/s1
InChIKey
PEFXSWGFSSZAAZ-IONNQARKSA-N
Compound name
[(2S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

253.0618 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06908 153.5
[M+Na]+ 276.05102 164.5
[M-H]- 252.05452 157.2
[M+NH4]+ 271.09562 170.2
[M+K]+ 292.02496 160.6
[M+H-H2O]+ 236.05906 145.9
[M+HCOO]- 298.06000 168.0
[M+CH3COO]- 312.07565 166.0
[M+Na-2H]- 274.03647 156.5
[M]+ 253.06125 156.7
[M]- 253.06235 156.7
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.