CID 452574

5'meoilepo3(et)azt

Structural Information

Molecular Formula
C19H31N6O8P
SMILES
CC[C@H](C)[C@@H](C(=O)OC)NP(=O)(OCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI
InChI=1S/C19H31N6O8P/c1-6-11(3)16(18(27)30-5)23-34(29,31-7-2)32-10-14-13(22-24-20)8-15(33-14)25-9-12(4)17(26)21-19(25)28/h9,11,13-16H,6-8,10H2,1-5H3,(H,23,29)(H,21,26,28)/t11-,13-,14+,15+,16-,34?/m0/s1
InChIKey
NJUFPWPXDCPXEZ-KVDGBYHPSA-N
Compound name
methyl (2S,3S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethoxyphosphoryl]amino]-3-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.1941 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.20138 211.1
[M+Na]+ 525.18332 212.0
[M-H]- 501.18682 216.1
[M+NH4]+ 520.22792 236.0
[M+K]+ 541.15726 208.5
[M+H-H2O]+ 485.19136 203.6
[M+HCOO]- 547.19230 247.7
[M+CH3COO]- 561.20795 243.9
[M+Na-2H]- 523.16877 213.3
[M]+ 502.19355 214.2
[M]- 502.19465 214.2
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.