CID 3010391

Chembl64017

Structural Information

Molecular Formula
C9H9Cl2N3O2
SMILES
C1=C(C2=C(N1COCCO)N=CN=C2Cl)Cl
InChI
InChI=1S/C9H9Cl2N3O2/c10-6-3-14(5-16-2-1-15)9-7(6)8(11)12-4-13-9/h3-4,15H,1-2,5H2
InChIKey
AFRMVMIBRGTWHZ-UHFFFAOYSA-N
Compound name
2-[(4,5-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

261.00717 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.01445 149.9
[M+Na]+ 283.99639 162.7
[M-H]- 259.99989 149.2
[M+NH4]+ 279.04099 166.6
[M+K]+ 299.97033 156.9
[M+H-H2O]+ 244.00443 143.0
[M+HCOO]- 306.00537 161.4
[M+CH3COO]- 320.02102 190.0
[M+Na-2H]- 281.98184 155.5
[M]+ 261.00662 156.9
[M]- 261.00772 156.9
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