CID 9543420

N-[[2-methyl-4-hydroxycarbamoyl]but-4-yl-n]-benzyl-p-[phenyl]-p-[methyl]phosphinamid

Structural Information

Molecular Formula
C20H27N2O3P
SMILES
CC(C)C[C@H](C(=O)NO)N(CC1=CC=CC=C1)[P@@](=O)(C)C2=CC=CC=C2
InChI
InChI=1S/C20H27N2O3P/c1-16(2)14-19(20(23)21-24)22(15-17-10-6-4-7-11-17)26(3,25)18-12-8-5-9-13-18/h4-13,16,19,24H,14-15H2,1-3H3,(H,21,23)/t19-,26-/m1/s1
InChIKey
KGUVBHLPMGERAT-NIYFSFCBSA-N
Compound name
(2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]-N-hydroxy-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

374.17593 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18321 192.9
[M+Na]+ 397.16515 193.8
[M-H]- 373.16865 197.1
[M+NH4]+ 392.20975 203.7
[M+K]+ 413.13909 192.1
[M+H-H2O]+ 357.17319 181.7
[M+HCOO]- 419.17413 217.6
[M+CH3COO]- 433.18978 224.5
[M+Na-2H]- 395.15060 190.8
[M]+ 374.17538 193.4
[M]- 374.17648 193.4
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.