CID 3063331

100482-77-7

Structural Information

Molecular Formula
C17H21NOS
SMILES
CCCCN(C)OC1=CC=CC=C1SC2=CC=CC=C2
InChI
InChI=1S/C17H21NOS/c1-3-4-14-18(2)19-16-12-8-9-13-17(16)20-15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3
InChIKey
OMHFIOGRVMACMJ-UHFFFAOYSA-N
Compound name
N-methyl-N-(2-phenylsulfanylphenoxy)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1344 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14168 167.1
[M+Na]+ 310.12362 172.8
[M-H]- 286.12712 174.6
[M+NH4]+ 305.16822 183.5
[M+K]+ 326.09756 169.0
[M+H-H2O]+ 270.13166 158.6
[M+HCOO]- 332.13260 187.0
[M+CH3COO]- 346.14825 206.1
[M+Na-2H]- 308.10907 169.6
[M]+ 287.13385 171.7
[M]- 287.13495 171.7
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.