CID 455892

3deaza-isoddamp deriv.

Structural Information

Molecular Formula
C15H17Cl6N4O5P
SMILES
C1[C@H](CO[C@H]1COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)N2C=NC3=C2C=CN=C3N
InChI
InChI=1S/C15H17Cl6N4O5P/c16-14(17,18)6-29-31(26,30-7-15(19,20)21)28-5-10-3-9(4-27-10)25-8-24-12-11(25)1-2-23-13(12)22/h1-2,8-10H,3-7H2,(H2,22,23)/t9-,10-/m1/s1
InChIKey
ZCOPQSMTSRPDSI-NXEZZACHSA-N
Compound name
[(2R,4R)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl bis(2,2,2-trichloroethyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

573.9068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.91408 220.2
[M+Na]+ 596.89602 224.9
[M-H]- 572.89952 217.5
[M+NH4]+ 591.94062 223.9
[M+K]+ 612.86996 224.4
[M+H-H2O]+ 556.90406 210.4
[M+HCOO]- 618.90500 208.6
[M+CH3COO]- 632.92065 239.6
[M+Na-2H]- 594.88147 216.2
[M]+ 573.90625 221.3
[M]- 573.90735 221.3
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.