CID 111566

Bis(2-(o-aminophenylthiomethylthio)anilino)methane

Structural Information

Molecular Formula
C27H28N4S4
SMILES
C1=CC=C(C(=C1)N)SCSC2=CC=CC=C2NCNC3=CC=CC=C3SCSC4=CC=CC=C4N
InChI
InChI=1S/C27H28N4S4/c28-20-9-1-5-13-24(20)32-18-34-26-15-7-3-11-22(26)30-17-31-23-12-4-8-16-27(23)35-19-33-25-14-6-2-10-21(25)29/h1-16,30-31H,17-19,28-29H2
InChIKey
OWXIREOFSQQJKK-UHFFFAOYSA-N
Compound name
N,N'-bis[2-[(2-aminophenyl)sulfanylmethylsulfanyl]phenyl]methanediamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.1197 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.12698 205.4
[M+Na]+ 559.10892 210.0
[M-H]- 535.11242 211.0
[M+NH4]+ 554.15352 209.3
[M+K]+ 575.08286 194.3
[M+H-H2O]+ 519.11696 196.0
[M+HCOO]- 581.11790 208.6
[M+CH3COO]- 595.13355 209.4
[M+Na-2H]- 557.09437 210.0
[M]+ 536.11915 201.1
[M]- 536.12025 201.1
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.