CID 9589115

Brn 4827703

Structural Information

Molecular Formula
C23H21Cl2N2O4P
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)CP(=O)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C23H21Cl2N2O4P/c1-30-21-12-3-16(13-22(21)31-2)14-26-27-23(28)15-32(29,19-8-4-17(24)5-9-19)20-10-6-18(25)7-11-20/h3-14H,15H2,1-2H3,(H,27,28)/b26-14+
InChIKey
ZXZJWHBMZGFYIL-VULFUBBASA-N
Compound name
2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.06158 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.06886 212.1
[M+Na]+ 513.05080 219.4
[M-H]- 489.05430 221.5
[M+NH4]+ 508.09540 221.3
[M+K]+ 529.02474 213.5
[M+H-H2O]+ 473.05884 200.8
[M+HCOO]- 535.05978 232.3
[M+CH3COO]- 549.07543 241.8
[M+Na-2H]- 511.03625 211.5
[M]+ 490.06103 220.8
[M]- 490.06213 220.8
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.