CID 463392

5'-[ph(bunh)]d4tmp

Structural Information

Molecular Formula
C20H26N3O6P
SMILES
CCCCNP(=O)(OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OC3=CC=CC=C3
InChI
InChI=1S/C20H26N3O6P/c1-3-4-12-21-30(26,29-16-8-6-5-7-9-16)27-14-17-10-11-18(28-17)23-13-15(2)19(24)22-20(23)25/h5-11,13,17-18H,3-4,12,14H2,1-2H3,(H,21,26)(H,22,24,25)/t17-,18+,30?/m0/s1
InChIKey
DDSPDJYAVMVJGU-IOUYGMNISA-N
Compound name
1-[(2R,5S)-5-[[butylamino(phenoxy)phosphoryl]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

435.1559 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.16318 201.3
[M+Na]+ 458.14512 206.4
[M-H]- 434.14862 206.7
[M+NH4]+ 453.18972 207.4
[M+K]+ 474.11906 203.9
[M+H-H2O]+ 418.15316 188.6
[M+HCOO]- 480.15410 224.9
[M+CH3COO]- 494.16975 227.1
[M+Na-2H]- 456.13057 200.6
[M]+ 435.15535 205.8
[M]- 435.15645 205.8
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.