CID 453476

3-deaza-dda-5'-dietpo4

Structural Information

Molecular Formula
C15H23N4O5P
SMILES
CCOP(=O)(OCC)OC[C@@H]1CC[C@@H](O1)N2C=NC3=C2C=CN=C3N
InChI
InChI=1S/C15H23N4O5P/c1-3-21-25(20,22-4-2)23-9-11-5-6-13(24-11)19-10-18-14-12(19)7-8-17-15(14)16/h7-8,10-11,13H,3-6,9H2,1-2H3,(H2,16,17)/t11-,13+/m0/s1
InChIKey
SHSYVSHFSUTICB-WCQYABFASA-N
Compound name
[(2S,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14788 183.6
[M+Na]+ 393.12982 189.8
[M-H]- 369.13332 186.7
[M+NH4]+ 388.17442 194.7
[M+K]+ 409.10376 189.6
[M+H-H2O]+ 353.13786 172.6
[M+HCOO]- 415.13880 207.1
[M+CH3COO]- 429.15445 216.3
[M+Na-2H]- 391.11527 183.5
[M]+ 370.14005 189.6
[M]- 370.14115 189.6
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.