CID 13361070

1-propylamine, 2,2'-((alpha,p-dimethylbenzylidene)dithio)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]+ 299.161026 169.0
[M+Na]+ 321.142968 172.6
[M-H]- 297.146474 170.0
[M+NH4]+ 316.187573 183.7
[M+K]+ 337.116908 166.9
[M+H-H2O]+ 281.151010 161.8
[M+HCOO]- 343.151951 177.2
[M+CH3COO]- 357.167601 209.2
[M+Na-2H]- 319.128416 166.1
[M]+ 298.15320142 168.9
[M]- 298.15429858 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.