CID 499304

Nsc669255

Structural Information

Molecular Formula
C22H40N2O11P2
SMILES
CCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OC[C@H]1[C@@H](C[C@H](O1)N2C=C(C(=O)NC2=O)C)O
InChI
InChI=1S/C22H40N2O11P2/c1-3-4-5-6-7-8-9-10-11-12-13-32-36(28,29)35-37(30,31)33-16-19-18(25)14-20(34-19)24-15-17(2)21(26)23-22(24)27/h15,18-20,25H,3-14,16H2,1-2H3,(H,28,29)(H,30,31)(H,23,26,27)/t18-,19+,20+/m1/s1
InChIKey
VIHMYQDURXUULI-AABGKKOBSA-N
Compound name
[dodecoxy(hydroxy)phosphoryl] [(2S,3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.21075 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.21803 231.1
[M+Na]+ 593.19997 230.9
[M-H]- 569.20347 213.6
[M+NH4]+ 588.24457 217.1
[M+K]+ 609.17391 231.2
[M+H-H2O]+ 553.20801 217.9
[M+HCOO]- 615.20895 241.0
[M+CH3COO]- 629.22460 245.1
[M+Na-2H]- 591.18542 226.8
[M]+ 570.21020 212.1
[M]- 570.21130 212.1
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.