CID 6483625

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]-2-methyl-, methyl ester

Structural Information

Molecular Formula
C24H28N3O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CO[C@H](O2)COP(=O)(NC(C)(C)C(=O)OC)OC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H28N3O9P/c1-15-12-27(23(30)25-21(15)28)19-13-33-20(35-19)14-34-37(31,26-24(2,3)22(29)32-4)36-18-11-7-9-16-8-5-6-10-17(16)18/h5-12,19-20H,13-14H2,1-4H3,(H,26,31)(H,25,28,30)/t19-,20-,37?/m1/s1
InChIKey
IYSYUQMXHFOLMG-MMIZYKABSA-N
Compound name
methyl 2-methyl-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

533.1563 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.16358 221.8
[M+Na]+ 556.14552 225.2
[M-H]- 532.14902 228.7
[M+NH4]+ 551.19012 222.8
[M+K]+ 572.11946 226.7
[M+H-H2O]+ 516.15356 209.6
[M+HCOO]- 578.15450 238.9
[M+CH3COO]- 592.17015 246.5
[M+Na-2H]- 554.13097 222.9
[M]+ 533.15575 227.8
[M]- 533.15685 227.8
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.