CID 16076847

(+/-)-cis-phosphonic acid, [[[(1s,2r)-2-(3,4-dihydro-2,4-dioxo-1(2h)-pyrimidinyl)-2-phenylcyclopropyl]methoxy]methyl]-, bis(1-methylethyl) ester

Structural Information

Molecular Formula
C21H29N2O6P
SMILES
CC(C)OP(=O)(COC[C@H]1C[C@@]1(C2=CC=CC=C2)N3C=CC(=O)NC3=O)OC(C)C
InChI
InChI=1S/C21H29N2O6P/c1-15(2)28-30(26,29-16(3)4)14-27-13-18-12-21(18,17-8-6-5-7-9-17)23-11-10-19(24)22-20(23)25/h5-11,15-16,18H,12-14H2,1-4H3,(H,22,24,25)/t18-,21+/m1/s1
InChIKey
NQOQOLQRYYQNTE-NQIIRXRSSA-N
Compound name
1-[(1R,2S)-2-[di(propan-2-yloxy)phosphorylmethoxymethyl]-1-phenylcyclopropyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.17633 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.18361 205.0
[M+Na]+ 459.16555 211.8
[M-H]- 435.16905 209.9
[M+NH4]+ 454.21015 208.6
[M+K]+ 475.13949 208.6
[M+H-H2O]+ 419.17359 194.2
[M+HCOO]- 481.17453 225.7
[M+CH3COO]- 495.19018 227.9
[M+Na-2H]- 457.15100 203.8
[M]+ 436.17578 213.5
[M]- 436.17688 213.5
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.