CID 3075847

128959-36-4

Structural Information

Molecular Formula
C17H21NOS
SMILES
CC(CC1=CC=CC=C1SC2=CC=CC=C2O)N(C)C
InChI
InChI=1S/C17H21NOS/c1-13(18(2)3)12-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13,19H,12H2,1-3H3
InChIKey
IYZPSKNKXWSFJB-UHFFFAOYSA-N
Compound name
2-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

287.1344 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.141676 166.9
[M+Na]+ 310.123618 172.7
[M-H]- 286.127124 173.5
[M+NH4]+ 305.168223 182.8
[M+K]+ 326.097558 168.6
[M+H-H2O]+ 270.131660 159.1
[M+HCOO]- 332.132601 184.2
[M+CH3COO]- 346.148251 205.5
[M+Na-2H]- 308.109066 167.3
[M]+ 287.13385142 169.5
[M]- 287.13494858 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.