CID 463395

5'-[ph(octnh)]d4tmp

Structural Information

Molecular Formula
C24H34N3O6P
SMILES
CCCCCCCCNP(=O)(OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OC3=CC=CC=C3
InChI
InChI=1S/C24H34N3O6P/c1-3-4-5-6-7-11-16-25-34(30,33-20-12-9-8-10-13-20)31-18-21-14-15-22(32-21)27-17-19(2)23(28)26-24(27)29/h8-10,12-15,17,21-22H,3-7,11,16,18H2,1-2H3,(H,25,30)(H,26,28,29)/t21-,22+,34?/m0/s1
InChIKey
RCTGPZLIWQUJKR-LZHJMWECSA-N
Compound name
5-methyl-1-[(2R,5S)-5-[[(octylamino)-phenoxyphosphoryl]oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.21854 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.22582 219.1
[M+Na]+ 514.20776 222.2
[M-H]- 490.21126 223.7
[M+NH4]+ 509.25236 222.8
[M+K]+ 530.18170 219.1
[M+H-H2O]+ 474.21580 205.5
[M+HCOO]- 536.21674 241.2
[M+CH3COO]- 550.23239 238.8
[M+Na-2H]- 512.19321 216.4
[M]+ 491.21799 224.8
[M]- 491.21909 224.8
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.