CID 580961

Chembl428365

Structural Information

Molecular Formula
C16H19N2O6P
SMILES
CC1C(CP(=O)(O1)OC2=CC=CC=C2)OCN3C=C(C(=O)NC3=O)C
InChI
InChI=1S/C16H19N2O6P/c1-11-8-18(16(20)17-15(11)19)10-22-14-9-25(21,23-12(14)2)24-13-6-4-3-5-7-13/h3-8,12,14H,9-10H2,1-2H3,(H,17,19,20)
InChIKey
BBTDPOXZPKJNKZ-UHFFFAOYSA-N
Compound name
5-methyl-1-[(5-methyl-2-oxo-2-phenoxy-1,2lambda5-oxaphospholan-4-yl)oxymethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.09808 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.10536 178.0
[M+Na]+ 389.08730 186.8
[M-H]- 365.09080 184.3
[M+NH4]+ 384.13190 189.7
[M+K]+ 405.06124 185.0
[M+H-H2O]+ 349.09534 166.8
[M+HCOO]- 411.09628 202.4
[M+CH3COO]- 425.11193 210.7
[M+Na-2H]- 387.07275 177.3
[M]+ 366.09753 182.2
[M]- 366.09863 182.2
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.