CID 464407

2cl-n(6)-c-pr-1-deaza-dda

Structural Information

Molecular Formula
C14H17ClN4O2
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=C(C=C3NC4CC4)Cl
InChI
InChI=1S/C14H17ClN4O2/c15-11-5-10(17-8-1-2-8)13-14(18-11)19(7-16-13)12-4-3-9(6-20)21-12/h5,7-9,12,20H,1-4,6H2,(H,17,18)/t9-,12+/m0/s1
InChIKey
NPHSVQBTMSBPPV-JOYOIKCWSA-N
Compound name
[(2S,5R)-5-[5-chloro-7-(cyclopropylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.104 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11128 170.0
[M+Na]+ 331.09322 181.2
[M-H]- 307.09672 176.8
[M+NH4]+ 326.13782 179.4
[M+K]+ 347.06716 174.8
[M+H-H2O]+ 291.10126 162.1
[M+HCOO]- 353.10220 184.7
[M+CH3COO]- 367.11785 180.7
[M+Na-2H]- 329.07867 171.4
[M]+ 308.10345 174.8
[M]- 308.10455 174.8
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.