CID 483472

Hd-ccdv

Structural Information

Molecular Formula
C24H44N3O5P
SMILES
CCCCCCCCCCCCCCCCOP1(=O)CO[C@H](CO1)CN2C=CC(=NC2=O)N
InChI
InChI=1S/C24H44N3O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-31-33(29)21-30-22(20-32-33)19-27-17-16-23(25)26-24(27)28/h16-17,22H,2-15,18-21H2,1H3,(H2,25,26,28)/t22-,33?/m0/s1
InChIKey
UTVNXKBJACWQPT-LJPZCQIFSA-N
Compound name
4-amino-1-[[(5S)-2-hexadecoxy-2-oxo-1,4,2lambda5-dioxaphosphinan-5-yl]methyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

485.30185 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.30913 226.4
[M+Na]+ 508.29107 227.4
[M-H]- 484.29457 227.3
[M+NH4]+ 503.33567 230.0
[M+K]+ 524.26501 225.5
[M+H-H2O]+ 468.29911 212.4
[M+HCOO]- 530.30005 244.9
[M+CH3COO]- 544.31570 242.0
[M+Na-2H]- 506.27652 222.4
[M]+ 485.30130 233.0
[M]- 485.30240 233.0
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