CID 132635

Piv2 ddump

Structural Information

Molecular Formula
C21H33N2O11P
SMILES
CC(C)(C)C(=O)OCOP(=O)(OC[C@@H]1CC[C@@H](O1)N2C=CC(=O)NC2=O)OCOC(=O)C(C)(C)C
InChI
InChI=1S/C21H33N2O11P/c1-20(2,3)17(25)29-12-32-35(28,33-13-30-18(26)21(4,5)6)31-11-14-7-8-16(34-14)23-10-9-15(24)22-19(23)27/h9-10,14,16H,7-8,11-13H2,1-6H3,(H,22,24,27)/t14-,16+/m0/s1
InChIKey
YEEROEUEKAECNF-GOEBONIOSA-N
Compound name
[2,2-dimethylpropanoyloxymethoxy-[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

520.1822 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.18948 211.7
[M+Na]+ 543.17142 213.7
[M-H]- 519.17492 213.7
[M+NH4]+ 538.21602 210.6
[M+K]+ 559.14536 217.2
[M+H-H2O]+ 503.17946 202.3
[M+HCOO]- 565.18040 225.9
[M+CH3COO]- 579.19605 237.3
[M+Na-2H]- 541.15687 212.9
[M]+ 520.18165 221.7
[M]- 520.18275 221.7
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.