CID 135606844

135689-10-0

Structural Information

Molecular Formula
C21H19N2O4P
SMILES
C1=CC=C(C=C1)P(=O)(CC(=O)N/N=C/C2=C(C=C(C=C2)O)O)C3=CC=CC=C3
InChI
InChI=1S/C21H19N2O4P/c24-17-12-11-16(20(25)13-17)14-22-23-21(26)15-28(27,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,24-25H,15H2,(H,23,26)/b22-14+
InChIKey
PFBILROIXJJFLK-HYARGMPZSA-N
Compound name
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-diphenylphosphorylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.10825 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.11553 192.2
[M+Na]+ 417.09747 196.1
[M-H]- 393.10097 199.0
[M+NH4]+ 412.14207 201.4
[M+K]+ 433.07141 191.5
[M+H-H2O]+ 377.10551 180.0
[M+HCOO]- 439.10645 219.4
[M+CH3COO]- 453.12210 222.0
[M+Na-2H]- 415.08292 193.9
[M]+ 394.10770 191.3
[M]- 394.10880 191.3
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.