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 161.8
[M+Na]+ 313.08038 168.2
[M-H]- 289.08388 166.7
[M+NH4]+ 308.12498 176.9
[M+K]+ 329.05432 160.8
[M+H-H2O]+ 273.08842 154.2
[M+HCOO]- 335.08936 174.4
[M+CH3COO]- 349.10501 204.8
[M+Na-2H]- 311.06583 161.5
[M]+ 290.09061 161.0
[M]- 290.09171 161.0
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