CID 473410

Methyl 1-[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxy-phosphoryl]pyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C22H26N3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(N3CCCC3C(=O)OC)OC4=CC=CC=C4
InChI
InChI=1S/C22H26N3O8P/c1-15-13-24(22(28)23-20(15)26)19-11-10-17(32-19)14-31-34(29,33-16-7-4-3-5-8-16)25-12-6-9-18(25)21(27)30-2/h3-5,7-8,10-11,13,17-19H,6,9,12,14H2,1-2H3,(H,23,26,28)/t17-,18?,19+,34?/m0/s1
InChIKey
NMHLUMWQAJXOTJ-BUQCFGSLSA-N
Compound name
methyl 1-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

491.14575 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.15303 206.6
[M+Na]+ 514.13497 210.3
[M-H]- 490.13847 214.3
[M+NH4]+ 509.17957 210.3
[M+K]+ 530.10891 209.8
[M+H-H2O]+ 474.14301 194.5
[M+HCOO]- 536.14395 225.6
[M+CH3COO]- 550.15960 232.8
[M+Na-2H]- 512.12042 201.2
[M]+ 491.14520 209.8
[M]- 491.14630 209.8
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.