CID 463394

5'-[ph(hexnh)]d4tmp

Structural Information

Molecular Formula
C22H30N3O6P
SMILES
CCCCCCNP(=O)(OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OC3=CC=CC=C3
InChI
InChI=1S/C22H30N3O6P/c1-3-4-5-9-14-23-32(28,31-18-10-7-6-8-11-18)29-16-19-12-13-20(30-19)25-15-17(2)21(26)24-22(25)27/h6-8,10-13,15,19-20H,3-5,9,14,16H2,1-2H3,(H,23,28)(H,24,26,27)/t19-,20+,32?/m0/s1
InChIKey
JRDISXNWTFRHLN-NXEORBFLSA-N
Compound name
1-[(2R,5S)-5-[[(hexylamino)-phenoxyphosphoryl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.18723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.19451 210.3
[M+Na]+ 486.17645 214.3
[M-H]- 462.17995 215.3
[M+NH4]+ 481.22105 215.1
[M+K]+ 502.15039 211.5
[M+H-H2O]+ 446.18449 197.1
[M+HCOO]- 508.18543 233.1
[M+CH3COO]- 522.20108 233.0
[M+Na-2H]- 484.16190 208.6
[M]+ 463.18668 215.4
[M]- 463.18778 215.4
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.