CID 135611775

Brn 4825876

Structural Information

Molecular Formula
C21H17Cl2N2O3P
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CP(=O)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C21H17Cl2N2O3P/c22-16-5-9-18(10-6-16)29(28,19-11-7-17(23)8-12-19)14-21(27)25-24-13-15-3-1-2-4-20(15)26/h1-13,26H,14H2,(H,25,27)/b24-13+
InChIKey
KJMYPXQAAVVUNX-ZMOGYAJESA-N
Compound name
2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.03537 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.04265 203.2
[M+Na]+ 469.02459 217.6
[M+NH4]+ 464.06919 209.7
[M+K]+ 484.99853 208.7
[M-H]- 445.02809 208.8
[M+Na-2H]- 467.01004 212.4
[M]+ 446.03482 207.4
[M]- 446.03592 207.4
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.