CID 5481358

Methyl (2s)-2-[[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoate

Structural Information

Molecular Formula
C21H26N3O8P
SMILES
CC1=CC=C(C=C1)OP(=O)(N[C@@H](C)C(=O)OC)OC[C@@H]2C=C[C@@H](O2)N3C=C(C(=O)NC3=O)C
InChI
InChI=1S/C21H26N3O8P/c1-13-5-7-16(8-6-13)32-33(28,23-15(3)20(26)29-4)30-12-17-9-10-18(31-17)24-11-14(2)19(25)22-21(24)27/h5-11,15,17-18H,12H2,1-4H3,(H,23,28)(H,22,25,27)/t15-,17-,18+,33?/m0/s1
InChIKey
PCVKMWBHMRDXJU-TZDHYOIISA-N
Compound name
methyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

479.14575 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.15303 207.6
[M+Na]+ 502.13497 212.0
[M-H]- 478.13847 213.6
[M+NH4]+ 497.17957 211.6
[M+K]+ 518.10891 212.0
[M+H-H2O]+ 462.14301 195.3
[M+HCOO]- 524.14395 229.3
[M+CH3COO]- 538.15960 236.6
[M+Na-2H]- 500.12042 204.7
[M]+ 479.14520 213.7
[M]- 479.14630 213.7
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.