CID 453477

3-deaza-dda-5'-diprpo4

Structural Information

Molecular Formula
C17H27N4O5P
SMILES
CCCOP(=O)(OCCC)OC[C@@H]1CC[C@@H](O1)N2C=NC3=C2C=CN=C3N
InChI
InChI=1S/C17H27N4O5P/c1-3-9-23-27(22,24-10-4-2)25-11-13-5-6-15(26-13)21-12-20-16-14(21)7-8-19-17(16)18/h7-8,12-13,15H,3-6,9-11H2,1-2H3,(H2,18,19)/t13-,15+/m0/s1
InChIKey
WNLHDARYNLXVQH-DZGCQCFKSA-N
Compound name
[(2S,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl dipropyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1719 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.17918 192.7
[M+Na]+ 421.16112 198.0
[M-H]- 397.16462 195.5
[M+NH4]+ 416.20572 202.6
[M+K]+ 437.13506 197.4
[M+H-H2O]+ 381.16916 181.3
[M+HCOO]- 443.17010 215.6
[M+CH3COO]- 457.18575 222.2
[M+Na-2H]- 419.14657 191.6
[M]+ 398.17135 199.4
[M]- 398.17245 199.4
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.