CID 3009843

N-phenyl-n-[(n-phenylanilino)disulfanyl]aniline

Structural Information

Molecular Formula
C24H20N2S2
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)SSN(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H20N2S2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-28-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKey
DPIUGZKWLNIXOB-UHFFFAOYSA-N
Compound name
N-phenyl-N-[(N-phenylanilino)disulfanyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

108
Patents

400.10678 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.11406 190.6
[M+Na]+ 423.09600 195.3
[M-H]- 399.09950 203.7
[M+NH4]+ 418.14060 201.5
[M+K]+ 439.06994 188.2
[M+H-H2O]+ 383.10404 180.1
[M+HCOO]- 445.10498 206.7
[M+CH3COO]- 459.12063 199.8
[M+Na-2H]- 421.08145 194.7
[M]+ 400.10623 191.7
[M]- 400.10733 191.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe