CID 16727465

N,n'-bis[1-(benzylsulfanylmethyl)propyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C24H36N2S2
SMILES
CCC(CSCC1=CC=CC=C1)NCCNC(CC)CSCC2=CC=CC=C2
InChI
InChI=1S/C24H36N2S2/c1-3-23(19-27-17-21-11-7-5-8-12-21)25-15-16-26-24(4-2)20-28-18-22-13-9-6-10-14-22/h5-14,23-26H,3-4,15-20H2,1-2H3
InChIKey
IJRACIXDQXDUCB-UHFFFAOYSA-N
Compound name
N,N'-bis(1-benzylsulfanylbutan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.232 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.23928 197.8
[M+Na]+ 439.22122 198.1
[M-H]- 415.22472 201.2
[M+NH4]+ 434.26582 207.6
[M+K]+ 455.19516 190.1
[M+H-H2O]+ 399.22926 188.1
[M+HCOO]- 461.23020 207.8
[M+CH3COO]- 475.24585 230.5
[M+Na-2H]- 437.20667 195.9
[M]+ 416.23145 200.5
[M]- 416.23255 200.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.