CID 456428

115093-87-3

Structural Information

Molecular Formula
C9H11ClN4O2
SMILES
C1=C(C2=C(N=CN=C2N1COCCO)N)Cl
InChI
InChI=1S/C9H11ClN4O2/c10-6-3-14(5-16-2-1-15)9-7(6)8(11)12-4-13-9/h3-4,15H,1-2,5H2,(H2,11,12,13)
InChIKey
LOXAXVNOMXXLCJ-UHFFFAOYSA-N
Compound name
2-[(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

242.05705 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06433 148.9
[M+Na]+ 265.04627 160.6
[M-H]- 241.04977 148.6
[M+NH4]+ 260.09087 165.5
[M+K]+ 281.02021 155.6
[M+H-H2O]+ 225.05431 141.6
[M+HCOO]- 287.05525 166.2
[M+CH3COO]- 301.07090 189.8
[M+Na-2H]- 263.03172 155.0
[M]+ 242.05650 153.6
[M]- 242.05760 153.6
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

patents stripe