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 171.5
[M+Na]+ 324.13924 177.3
[M-H]- 300.14274 179.3
[M+NH4]+ 319.18384 187.6
[M+K]+ 340.11318 173.9
[M+H-H2O]+ 284.14728 163.2
[M+HCOO]- 346.14822 190.0
[M+CH3COO]- 360.16387 211.0
[M+Na-2H]- 322.12469 171.8
[M]+ 301.14947 176.3
[M]- 301.15057 176.3
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.