CID 9554936

Nsc 210744

Structural Information

Molecular Formula
C31H25N2O2PS
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)/C=N/N=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C31H25N2O2PS/c34-37(35,31-24-14-13-23-30(31)26-15-5-1-6-16-26)25-32-33-36(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-25H/b32-25+
InChIKey
OGOVHFWRLDBDFS-WGPBWIAQSA-N
Compound name
(E)-1-(2-phenylphenyl)sulfonyl-N-[(triphenyl-lambda5-phosphanylidene)amino]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.13745 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.14473 223.9
[M+Na]+ 543.12667 227.7
[M-H]- 519.13017 238.6
[M+NH4]+ 538.17127 229.0
[M+K]+ 559.10061 220.2
[M+H-H2O]+ 503.13471 208.0
[M+HCOO]- 565.13565 248.4
[M+CH3COO]- 579.15130 246.7
[M+Na-2H]- 541.11212 226.9
[M]+ 520.13690 223.1
[M]- 520.13800 223.1
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.