CID 464410

Aag137

Structural Information

Molecular Formula
C16H21ClN4O2
SMILES
C1CCC(C1)NC2=CC(=NC3=C2N=CN3[C@H]4CC[C@H](O4)CO)Cl
InChI
InChI=1S/C16H21ClN4O2/c17-13-7-12(19-10-3-1-2-4-10)15-16(20-13)21(9-18-15)14-6-5-11(8-22)23-14/h7,9-11,14,22H,1-6,8H2,(H,19,20)/t11-,14+/m0/s1
InChIKey
XRFJZZAXLCHONA-SMDDNHRTSA-N
Compound name
[(2S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

336.1353 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14258 177.4
[M+Na]+ 359.12452 185.0
[M-H]- 335.12802 184.0
[M+NH4]+ 354.16912 191.7
[M+K]+ 375.09846 180.5
[M+H-H2O]+ 319.13256 169.0
[M+HCOO]- 381.13350 190.5
[M+CH3COO]- 395.14915 187.4
[M+Na-2H]- 357.10997 175.0
[M]+ 336.13475 177.8
[M]- 336.13585 177.8
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.