CID 460258

D4t-5'-opo2sh2 gly deriv.

Structural Information

Molecular Formula
C16H25N4O8PS
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(NCC(=O)OC)SCC(=O)NC
InChI
InChI=1S/C16H25N4O8PS/c1-10-7-20(16(24)19-15(10)23)13-5-4-11(28-13)8-27-29(25,18-6-14(22)26-3)30-9-12(21)17-2/h7,11,13H,4-6,8-9H2,1-3H3,(H,17,21)(H,18,25)(H,19,23,24)/t11-,13+,29?/m0/s1
InChIKey
DTGGVQGGKMSRRL-XMDDGGBESA-N
Compound name
methyl 2-[[[2-(methylamino)-2-oxoethyl]sulfanyl-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.11307 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.12035 199.3
[M+Na]+ 487.10229 202.1
[M-H]- 463.10579 201.3
[M+NH4]+ 482.14689 204.5
[M+K]+ 503.07623 201.6
[M+H-H2O]+ 447.11033 188.6
[M+HCOO]- 509.11127 217.0
[M+CH3COO]- 523.12692 232.2
[M+Na-2H]- 485.08774 196.4
[M]+ 464.11252 205.1
[M]- 464.11362 205.1
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.