CID 9589120

Brn 4828236

Structural Information

Molecular Formula
C23H19ClN3O4P
SMILES
C1=CC=C(C=C1)P(=O)(CC(=O)N/N=C/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/Cl)C3=CC=CC=C3
InChI
InChI=1S/C23H19ClN3O4P/c24-19(14-18-8-7-9-20(15-18)27(29)30)16-25-26-23(28)17-32(31,21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-16H,17H2,(H,26,28)/b19-14-,25-16+
InChIKey
LGNZKWKEBLLTCO-KVNXVBRFSA-N
Compound name
N-[(E)-[(Z)-2-chloro-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-diphenylphosphorylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.08017 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.08745 207.7
[M+Na]+ 490.06939 209.3
[M-H]- 466.07289 216.2
[M+NH4]+ 485.11399 214.7
[M+K]+ 506.04333 199.7
[M+H-H2O]+ 450.07743 199.8
[M+HCOO]- 512.07837 232.3
[M+CH3COO]- 526.09402 230.1
[M+Na-2H]- 488.05484 210.8
[M]+ 467.07962 207.8
[M]- 467.08072 207.8
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.