CID 3075837

128959-29-5

Structural Information

Molecular Formula
C18H23NOS
SMILES
CC(CC1=CC=CC=C1SC2=CC=C(C=C2)OC)N(C)C
InChI
InChI=1S/C18H23NOS/c1-14(19(2)3)13-15-7-5-6-8-18(15)21-17-11-9-16(20-4)10-12-17/h5-12,14H,13H2,1-4H3
InChIKey
QCTWOWSXOONKIQ-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.15002 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15730 171.0
[M+Na]+ 324.13924 184.4
[M+NH4]+ 319.18384 180.4
[M+K]+ 340.11318 174.4
[M-H]- 300.14274 177.2
[M+Na-2H]- 322.12469 179.9
[M]+ 301.14947 175.4
[M]- 301.15057 175.4
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.