CID 110186

68400-48-6

Structural Information

Molecular Formula
C17H21NO2S
SMILES
CCOC1=CC(=C(C=C1N)OCC)SC2=CC=C(C=C2)C
InChI
InChI=1S/C17H21NO2S/c1-4-19-15-11-17(16(20-5-2)10-14(15)18)21-13-8-6-12(3)7-9-13/h6-11H,4-5,18H2,1-3H3
InChIKey
ONYJVUIBPVYRDL-UHFFFAOYSA-N
Compound name
2,5-diethoxy-4-(4-methylphenyl)sulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

303.1293 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13658 170.9
[M+Na]+ 326.11852 184.7
[M+NH4]+ 321.16312 179.6
[M+K]+ 342.09246 174.6
[M-H]- 302.12202 176.4
[M+Na-2H]- 324.10397 178.6
[M]+ 303.12875 175.1
[M]- 303.12985 175.1
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