CID 9589114

135689-08-6

Structural Information

Molecular Formula
C23H21N2O2P
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H21N2O2P/c26-23(25-24-18-10-13-20-11-4-1-5-12-20)19-28(27,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-18H,19H2,(H,25,26)/b13-10+,24-18+
InChIKey
XGNWGPVDJXCRRR-JERWTEEISA-N
Compound name
2-diphenylphosphoryl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.13406 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14134 194.9
[M+Na]+ 411.12328 197.7
[M-H]- 387.12678 203.1
[M+NH4]+ 406.16788 205.3
[M+K]+ 427.09722 191.9
[M+H-H2O]+ 371.13132 181.8
[M+HCOO]- 433.13226 224.1
[M+CH3COO]- 447.14791 224.2
[M+Na-2H]- 409.10873 197.1
[M]+ 388.13351 193.9
[M]- 388.13461 193.9
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.