CID 93708

1,2-bis(2-aminophenylthio)propane

Structural Information

Molecular Formula
C15H18N2S2
SMILES
CC(CSC1=CC=CC=C1N)SC2=CC=CC=C2N
InChI
InChI=1S/C15H18N2S2/c1-11(19-15-9-5-3-7-13(15)17)10-18-14-8-4-2-6-12(14)16/h2-9,11H,10,16-17H2,1H3
InChIKey
JUNGPRNTMDWRKG-UHFFFAOYSA-N
Compound name
2-[2-(2-aminophenyl)sulfanylpropylsulfanyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

290.09116 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09844 161.0
[M+Na]+ 313.08038 172.5
[M+NH4]+ 308.12498 170.4
[M+K]+ 329.05432 161.6
[M-H]- 289.08388 167.2
[M+Na-2H]- 311.06583 168.8
[M]+ 290.09061 165.4
[M]- 290.09171 165.4
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

patents stripe