CID 3046512

2-(4-methylaminobutoxy)diphenylsulfide hydrochloride

Structural Information

Molecular Formula
C17H21NOS
SMILES
CNCCCCOC1=CC=CC=C1SC2=CC=CC=C2
InChI
InChI=1S/C17H21NOS/c1-18-13-7-8-14-19-16-11-5-6-12-17(16)20-15-9-3-2-4-10-15/h2-6,9-12,18H,7-8,13-14H2,1H3
InChIKey
BNRILQDZJJSXBU-UHFFFAOYSA-N
Compound name
N-methyl-4-(2-phenylsulfanylphenoxy)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

287.1344 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14168 166.8
[M+Na]+ 310.12362 180.2
[M+NH4]+ 305.16822 176.2
[M+K]+ 326.09756 168.8
[M-H]- 286.12712 172.8
[M+Na-2H]- 308.10907 176.1
[M]+ 287.13385 171.0
[M]- 287.13495 171.0
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

patents stripe