CID 3056260

Brn 3475303

Structural Information

Molecular Formula
C27H21N2OP
SMILES
C1=CC=C(C=C1)NC(=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N
InChI
InChI=1S/C27H21N2OP/c28-21-26(27(30)29-22-13-5-1-6-14-22)31(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,(H,29,30)
InChIKey
SXZKYXDNMBZBBH-UHFFFAOYSA-N
Compound name
2-cyano-N-phenyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.13916 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.14644 212.2
[M+Na]+ 443.12838 217.4
[M-H]- 419.13188 218.6
[M+NH4]+ 438.17298 218.7
[M+K]+ 459.10232 206.9
[M+H-H2O]+ 403.13642 192.7
[M+HCOO]- 465.13736 232.3
[M+CH3COO]- 479.15301 234.1
[M+Na-2H]- 441.11383 210.8
[M]+ 420.13861 202.4
[M]- 420.13971 202.4
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.