CID 135618533

2'-deoxycytidylyl-(3'-5')-guanosine

Structural Information

Molecular Formula
C19H25N8O11P
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=C(NC5=O)N)O)O)O
InChI
InChI=1S/C19H25N8O11P/c20-10-1-2-26(19(32)23-10)11-3-7(28)8(37-11)4-35-39(33,34)36-5-9-13(29)14(30)17(38-9)27-6-22-12-15(27)24-18(21)25-16(12)31/h1-2,6-9,11,13-14,17,28-30H,3-5H2,(H,33,34)(H2,20,23,32)(H3,21,24,25,31)/t7-,8+,9+,11+,13+,14+,17+/m0/s1
InChIKey
GLOIBDFBRCOVAO-DBBURVGMSA-N
Compound name
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.13806 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.145336 215.8
[M+Na]+ 595.127278 219.5
[M-H]- 571.130784 206.4
[M+NH4]+ 590.171883 215.0
[M+K]+ 611.101218 220.7
[M+H-H2O]+ 555.135320 201.4
[M+HCOO]- 617.136261 217.0
[M+CH3COO]- 631.151911 221.3
[M+Na-2H]- 593.112726 209.5
[M]+ 572.13751142 218.3
[M]- 572.13860858 218.3
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.