CID 452256

Ddcpo3(ch3)ddc

Structural Information

Molecular Formula
C19H27N6O7P
SMILES
CP(=O)(OC[C@H]1CC[C@H](O1)N2C=CC(=NC2=O)N)OC[C@@H]3CC[C@@H](O3)N4C=CC(=NC4=O)N
InChI
InChI=1S/C19H27N6O7P/c1-33(28,29-10-12-2-4-16(31-12)24-8-6-14(20)22-18(24)26)30-11-13-3-5-17(32-13)25-9-7-15(21)23-19(25)27/h6-9,12-13,16-17H,2-5,10-11H2,1H3,(H2,20,22,26)(H2,21,23,27)/t12-,13+,16+,17-,33?
InChIKey
VCOXLPPOJOQYFP-VXXDSIFFSA-N
Compound name
4-amino-1-[(2R,5S)-5-[[[(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

482.16788 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.17516 207.1
[M+Na]+ 505.15710 210.8
[M-H]- 481.16060 214.8
[M+NH4]+ 500.20170 208.4
[M+K]+ 521.13104 211.0
[M+H-H2O]+ 465.16514 194.2
[M+HCOO]- 527.16608 226.2
[M+CH3COO]- 541.18173 239.5
[M+Na-2H]- 503.14255 202.3
[M]+ 482.16733 207.9
[M]- 482.16843 207.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.