CID 59467

102559-50-2

Structural Information

Molecular Formula
C23H25NS2
SMILES
CN(C)CCSC(C1=CC=CC=C1)C2=CC=C(C=C2)SC3=CC=CC=C3
InChI
InChI=1S/C23H25NS2/c1-24(2)17-18-25-23(19-9-5-3-6-10-19)20-13-15-22(16-14-20)26-21-11-7-4-8-12-21/h3-16,23H,17-18H2,1-2H3
InChIKey
NHPYPSAPHMSKFP-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[phenyl-(4-phenylsulfanylphenyl)methyl]sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.14285 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.15013 187.9
[M+Na]+ 402.13207 192.6
[M-H]- 378.13557 197.2
[M+NH4]+ 397.17667 200.2
[M+K]+ 418.10601 185.4
[M+H-H2O]+ 362.14011 178.4
[M+HCOO]- 424.14105 200.5
[M+CH3COO]- 438.15670 196.9
[M+Na-2H]- 400.11752 187.8
[M]+ 379.14230 190.7
[M]- 379.14340 190.7
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.