CID 16076851

[(1s,2r)-2-(2,4-dioxopyrimidin-1-yl)-2-phenyl-cyclopropyl]methoxymethylphosphonic acid

Structural Information

Molecular Formula
C15H17N2O6P
SMILES
C1[C@@H]([C@]1(C2=CC=CC=C2)N3C=CC(=O)NC3=O)COCP(=O)(O)O
InChI
InChI=1S/C15H17N2O6P/c18-13-6-7-17(14(19)16-13)15(11-4-2-1-3-5-11)8-12(15)9-23-10-24(20,21)22/h1-7,12H,8-10H2,(H,16,18,19)(H2,20,21,22)/t12-,15+/m1/s1
InChIKey
ZJACEOJNOFWYFG-DOMZBBRYSA-N
Compound name
[(1S,2R)-2-(2,4-dioxopyrimidin-1-yl)-2-phenylcyclopropyl]methoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.08243 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.08971 182.2
[M+Na]+ 375.07165 191.4
[M-H]- 351.07515 185.4
[M+NH4]+ 370.11625 187.9
[M+K]+ 391.04559 186.6
[M+H-H2O]+ 335.07969 172.5
[M+HCOO]- 397.08063 203.8
[M+CH3COO]- 411.09628 205.2
[M+Na-2H]- 373.05710 184.9
[M]+ 352.08188 186.4
[M]- 352.08298 186.4
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.