CID 6483617

L-alanine, n-[(4-fluorophenoxy)[[(2r,4r)-4-(3,4-dihydro-5-methyl-2,4-dioxo-1(2h)-pyrimidinyl)-1,3-dioxolan-2-yl]methoxy]phosphinyl]-, methyl ester

Structural Information

Molecular Formula
C19H23FN3O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CO[C@H](O2)COP(=O)(N[C@@H](C)C(=O)OC)OC3=CC=C(C=C3)F
InChI
InChI=1S/C19H23FN3O9P/c1-11-8-23(19(26)21-17(11)24)15-9-29-16(31-15)10-30-33(27,22-12(2)18(25)28-3)32-14-6-4-13(20)5-7-14/h4-8,12,15-16H,9-10H2,1-3H3,(H,22,27)(H,21,24,26)/t12-,15+,16+,33?/m0/s1
InChIKey
KVBLPAMIVAHGGN-UOEFRQIUSA-N
Compound name
methyl (2S)-2-[[(4-fluorophenoxy)-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy]phosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

487.1156 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.12288 206.6
[M+Na]+ 510.10482 210.9
[M-H]- 486.10832 211.8
[M+NH4]+ 505.14942 208.8
[M+K]+ 526.07876 212.5
[M+H-H2O]+ 470.11286 193.8
[M+HCOO]- 532.11380 225.8
[M+CH3COO]- 546.12945 236.8
[M+Na-2H]- 508.09027 204.1
[M]+ 487.11505 211.7
[M]- 487.11615 211.7
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.