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

13
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

literature stripe

Patent stripe

patents stripe