CID 24798742

5-(5-chloro-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1h-imidazo[4,5-c]pyridine

Structural Information

Molecular Formula
C12H11ClN6
SMILES
C1CN(CC2=C1N=CN2)C3=NC=NC4=C3C(=CN4)Cl
InChI
InChI=1S/C12H11ClN6/c13-7-3-14-11-10(7)12(18-6-17-11)19-2-1-8-9(4-19)16-5-15-8/h3,5-6H,1-2,4H2,(H,15,16)(H,14,17,18)
InChIKey
YFFJXGRXFASBDL-UHFFFAOYSA-N
Compound name
5-chloro-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

274.07336 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08064 160.7
[M+Na]+ 297.06258 172.3
[M-H]- 273.06608 159.5
[M+NH4]+ 292.10718 173.7
[M+K]+ 313.03652 164.2
[M+H-H2O]+ 257.07062 150.2
[M+HCOO]- 319.07156 169.5
[M+CH3COO]- 333.08721 170.4
[M+Na-2H]- 295.04803 164.0
[M]+ 274.07281 159.4
[M]- 274.07391 159.4
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