CID 24652

Vufb2360

Structural Information

Molecular Formula
C22H31NS2
SMILES
CCCCSC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)SCCN(C)C
InChI
InChI=1S/C22H31NS2/c1-5-6-16-24-21-13-11-20(12-14-21)22(25-17-15-23(3)4)19-9-7-18(2)8-10-19/h7-14,22H,5-6,15-17H2,1-4H3
InChIKey
CEIPSXIKBHCSKQ-UHFFFAOYSA-N
Compound name
2-[(4-butylsulfanylphenyl)-(4-methylphenyl)methyl]sulfanyl-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.1898 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.19708 188.2
[M+Na]+ 396.17902 192.4
[M-H]- 372.18252 194.5
[M+NH4]+ 391.22362 201.5
[M+K]+ 412.15296 185.9
[M+H-H2O]+ 356.18706 179.2
[M+HCOO]- 418.18800 199.3
[M+CH3COO]- 432.20365 224.7
[M+Na-2H]- 394.16447 185.1
[M]+ 373.18925 193.6
[M]- 373.19035 193.6
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.