CID 16076852

(+/-)-cis-phosphonic acid, [[[(1s,2r)-2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2h)-pyrimidinyl)-2-phenylcyclopropyl]methoxy]methyl]-

Structural Information

Molecular Formula
C16H19N2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@@]2(C[C@@H]2COCP(=O)(O)O)C3=CC=CC=C3
InChI
InChI=1S/C16H19N2O6P/c1-11-8-18(15(20)17-14(11)19)16(12-5-3-2-4-6-12)7-13(16)9-24-10-25(21,22)23/h2-6,8,13H,7,9-10H2,1H3,(H,17,19,20)(H2,21,22,23)/t13-,16+/m1/s1
InChIKey
SNOAOTXKMZPPTH-CJNGLKHVSA-N
Compound name
[(1S,2R)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-phenylcyclopropyl]methoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.09808 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.10536 186.2
[M+Na]+ 389.08730 195.8
[M-H]- 365.09080 189.6
[M+NH4]+ 384.13190 191.6
[M+K]+ 405.06124 190.7
[M+H-H2O]+ 349.09534 176.6
[M+HCOO]- 411.09628 207.4
[M+CH3COO]- 425.11193 209.3
[M+Na-2H]- 387.07275 187.8
[M]+ 366.09753 191.1
[M]- 366.09863 191.1
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.