CID 6483624

L-alanine, n-[[[(2r,4r)-4-(3,4-dihydro-5-methyl-2,4-dioxo-1(2h)-pyrimidinyl)-1,3-dioxolan-2-yl]methoxy](1-naphthalenyloxy)phosphinyl]-, methyl ester

Structural Information

Molecular Formula
C23H26N3O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CO[C@H](O2)COP(=O)(N[C@@H](C)C(=O)OC)OC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C23H26N3O9P/c1-14-11-26(23(29)24-21(14)27)19-12-32-20(34-19)13-33-36(30,25-15(2)22(28)31-3)35-18-10-6-8-16-7-4-5-9-17(16)18/h4-11,15,19-20H,12-13H2,1-3H3,(H,25,30)(H,24,27,29)/t15-,19+,20+,36?/m0/s1
InChIKey
XZUXWZUCUHKTDY-WHOLXPIHSA-N
Compound name
methyl (2S)-2-[[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

519.1407 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.14798 216.7
[M+Na]+ 542.12992 220.1
[M-H]- 518.13342 223.7
[M+NH4]+ 537.17452 218.2
[M+K]+ 558.10386 221.5
[M+H-H2O]+ 502.13796 204.1
[M+HCOO]- 564.13890 234.9
[M+CH3COO]- 578.15455 244.0
[M+Na-2H]- 540.11537 215.4
[M]+ 519.14015 222.5
[M]- 519.14125 222.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.