CID 202967

Aniline, 4,4'-thiobis(n,n-dimethyl-

Structural Information

Molecular Formula
C16H20N2S
SMILES
CN(C)C1=CC=C(C=C1)SC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C16H20N2S/c1-17(2)13-5-9-15(10-6-13)19-16-11-7-14(8-12-16)18(3)4/h5-12H,1-4H3
InChIKey
XSNYTMIJXPCSKC-UHFFFAOYSA-N
Compound name
4-[4-(dimethylamino)phenyl]sulfanyl-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

272.1347 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14198 163.0
[M+Na]+ 295.12392 169.4
[M-H]- 271.12742 172.5
[M+NH4]+ 290.16852 180.7
[M+K]+ 311.09786 166.7
[M+H-H2O]+ 255.13196 154.5
[M+HCOO]- 317.13290 184.3
[M+CH3COO]- 331.14855 210.6
[M+Na-2H]- 293.10937 165.1
[M]+ 272.13415 166.8
[M]- 272.13525 166.8
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

patents stripe