CID 13361070

1-propanamine, 2,2'-((1-(4-methylphenyl)ethylidene)bis(thio))bis-

Structural Information

Molecular Formula
C15H26N2S2
SMILES
CC1=CC=C(C=C1)C(C)(SC(C)CN)SC(C)CN
InChI
InChI=1S/C15H26N2S2/c1-11-5-7-14(8-6-11)15(4,18-12(2)9-16)19-13(3)10-17/h5-8,12-13H,9-10,16-17H2,1-4H3
InChIKey
LZMBTINEPGZPCO-UHFFFAOYSA-N
Compound name
2-[1-(1-aminopropan-2-ylsulfanyl)-1-(4-methylphenyl)ethyl]sulfanylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.15375 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16103 169.0
[M+Na]+ 321.14297 172.6
[M-H]- 297.14647 170.0
[M+NH4]+ 316.18757 183.7
[M+K]+ 337.11691 166.9
[M+H-H2O]+ 281.15101 161.8
[M+HCOO]- 343.15195 177.2
[M+CH3COO]- 357.16760 209.2
[M+Na-2H]- 319.12842 166.1
[M]+ 298.15320 168.9
[M]- 298.15430 168.9
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.