CID 110186

Einecs 270-037-7

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 170.2
[M+Na]+ 326.11852 178.3
[M-H]- 302.12202 176.9
[M+NH4]+ 321.16312 185.9
[M+K]+ 342.09246 173.4
[M+H-H2O]+ 286.12656 162.4
[M+HCOO]- 348.12750 189.2
[M+CH3COO]- 362.14315 207.6
[M+Na-2H]- 324.10397 170.5
[M]+ 303.12875 175.2
[M]- 303.12985 175.2
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