CID 444107

Phenyl[1-(n-succinylamino)pentyl]phosphonate

Structural Information

Molecular Formula
C15H22NO6P
SMILES
CCCC[C@H](NC(=O)CCC(=O)O)P(=O)(O)OC1=CC=CC=C1
InChI
InChI=1S/C15H22NO6P/c1-2-3-9-14(16-13(17)10-11-15(18)19)23(20,21)22-12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3,(H,16,17)(H,18,19)(H,20,21)/t14-/m1/s1
InChIKey
FJQWWGCHPFSERW-CQSZACIVSA-N
Compound name
4-[[(1R)-1-[hydroxy(phenoxy)phosphoryl]pentyl]amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

343.11847 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12575 181.1
[M+Na]+ 366.10769 183.3
[M-H]- 342.11119 179.6
[M+NH4]+ 361.15229 192.4
[M+K]+ 382.08163 182.0
[M+H-H2O]+ 326.11573 171.6
[M+HCOO]- 388.11667 203.9
[M+CH3COO]- 402.13232 208.5
[M+Na-2H]- 364.09314 179.5
[M]+ 343.11792 183.8
[M]- 343.11902 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.