CID 3009841

Schembl333424

Structural Information

Molecular Formula
C28H28N2S2
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)SSN(CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C28H28N2S2/c1-5-13-25(14-6-1)21-29(22-26-15-7-2-8-16-26)31-32-30(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKey
DUNYWFDDGBFCJT-UHFFFAOYSA-N
Compound name
N-benzyl-N-[(dibenzylamino)disulfanyl]-1-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

387
Patents

456.1694 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.17668 206.4
[M+Na]+ 479.15862 209.2
[M-H]- 455.16212 218.6
[M+NH4]+ 474.20322 215.0
[M+K]+ 495.13256 201.3
[M+H-H2O]+ 439.16666 195.0
[M+HCOO]- 501.16760 221.2
[M+CH3COO]- 515.18325 213.8
[M+Na-2H]- 477.14407 208.7
[M]+ 456.16885 208.6
[M]- 456.16995 208.6
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.