CID 469782

Stampidine

Structural Information

Molecular Formula
C20H23BrN3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(N[C@H](C)C(=O)OC)OC3=CC=C(C=C3)Br
InChI
InChI=1S/C20H23BrN3O8P/c1-12-10-24(20(27)22-18(12)25)17-9-8-16(31-17)11-30-33(28,23-13(2)19(26)29-3)32-15-6-4-14(21)5-7-15/h4-10,13,16-17H,11H2,1-3H3,(H,23,28)(H,22,25,27)/t13-,16+,17-,33?/m1/s1
InChIKey
VPABMVYNSQRPBD-AOJMVMDXSA-N
Compound name
methyl (2R)-2-[[(4-bromophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

1074
Patents

543.0406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.04788 212.7
[M+Na]+ 566.02982 212.1
[M+NH4]+ 561.07442 210.7
[M+K]+ 582.00376 217.8
[M-H]- 542.03332 212.2
[M+Na-2H]- 564.01527 211.8
[M]+ 543.04005 210.7
[M]- 543.04115 210.7
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

patents stripe