CID 13361082

1-propylamine, 2,2'-((alpha-methylbenzylidene)dithio)bis-

Structural Information

Molecular Formula
C14H24N2S2
SMILES
CC(CN)SC(C)(C1=CC=CC=C1)SC(C)CN
InChI
InChI=1S/C14H24N2S2/c1-11(9-15)17-14(3,18-12(2)10-16)13-7-5-4-6-8-13/h4-8,11-12H,9-10,15-16H2,1-3H3
InChIKey
XKWXUFXOJNNVPX-UHFFFAOYSA-N
Compound name
2-[1-(1-aminopropan-2-ylsulfanyl)-1-phenylethyl]sulfanylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1381 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.145376 165.0
[M+Na]+ 307.127318 168.3
[M-H]- 283.130824 165.9
[M+NH4]+ 302.171923 180.0
[M+K]+ 323.101258 162.8
[M+H-H2O]+ 267.135360 157.8
[M+HCOO]- 329.136301 173.6
[M+CH3COO]- 343.151951 205.1
[M+Na-2H]- 305.112766 163.2
[M]+ 284.13755142 164.2
[M]- 284.13864858 164.2
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.