CID 92343

Cyanacure

Structural Information

Molecular Formula
C14H16N2S2
SMILES
C1=CC=C(C(=C1)N)SCCSC2=CC=CC=C2N
InChI
InChI=1S/C14H16N2S2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10,15-16H2
InChIKey
BSYVFGQQLJNJJG-UHFFFAOYSA-N
Compound name
2-[2-(2-aminophenyl)sulfanylethylsulfanyl]aniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

2373
Patents

276.0755 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08278 156.5
[M+Na]+ 299.06472 168.6
[M+NH4]+ 294.10932 166.3
[M+K]+ 315.03866 157.1
[M-H]- 275.06822 163.0
[M+Na-2H]- 297.05017 164.8
[M]+ 276.07495 161.1
[M]- 276.07605 161.1
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