CID 13361082

Brn 5544146

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]+ 285.14538 165.0
[M+Na]+ 307.12732 168.3
[M-H]- 283.13082 165.9
[M+NH4]+ 302.17192 180.0
[M+K]+ 323.10126 162.8
[M+H-H2O]+ 267.13536 157.8
[M+HCOO]- 329.13630 173.6
[M+CH3COO]- 343.15195 205.1
[M+Na-2H]- 305.11277 163.2
[M]+ 284.13755 164.2
[M]- 284.13865 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.