CID 382236

Nsc669690

Structural Information

Molecular Formula
C22H22NO4P
SMILES
C1=CC=C(C=C1)CC(NC(=O)OCC2=CC=CC=C2)P(=O)(C3=CC=CC=C3)O
InChI
InChI=1S/C22H22NO4P/c24-22(27-17-19-12-6-2-7-13-19)23-21(16-18-10-4-1-5-11-18)28(25,26)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,23,24)(H,25,26)
InChIKey
CCFLCVNTJITMRL-UHFFFAOYSA-N
Compound name
phenyl-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.12863 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.13591 195.0
[M+Na]+ 418.11785 196.9
[M-H]- 394.12135 200.9
[M+NH4]+ 413.16245 203.9
[M+K]+ 434.09179 193.0
[M+H-H2O]+ 378.12589 182.7
[M+HCOO]- 440.12683 219.7
[M+CH3COO]- 454.14248 218.8
[M+Na-2H]- 416.10330 195.7
[M]+ 395.12808 194.4
[M]- 395.12918 194.4
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.