CID 461272

13-oma-aztdp

Structural Information

Molecular Formula
C23H39N5O12P2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC(=O)CCCCCCCCCCCOC)N=[N+]=[N-]
InChI
InChI=1S/C23H39N5O12P2/c1-17-15-28(23(31)25-22(17)30)20-14-18(26-27-24)19(38-20)16-37-41(32,33)40-42(34,35)39-21(29)12-10-8-6-4-3-5-7-9-11-13-36-2/h15,18-20H,3-14,16H2,1-2H3,(H,32,33)(H,34,35)(H,25,30,31)/t18-,19+,20+/m0/s1
InChIKey
IPMRPNCOQYLNNR-XUVXKRRUSA-N
Compound name
[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] 12-methoxydodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

639.20703 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 640.21431 246.0
[M+Na]+ 662.19625 258.3
[M-H]- 638.19975 256.1
[M+NH4]+ 657.24085 257.0
[M+K]+ 678.17019 245.1
[M+H-H2O]+ 622.20429 225.3
[M+HCOO]- 684.20523 272.8
[M+CH3COO]- 698.22088 259.3
[M+Na-2H]- 660.18170 229.3
[M]+ 639.20648 238.8
[M]- 639.20758 238.8
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.