CID 94743

5397-29-5

Structural Information

Molecular Formula
C16H20N2S2
SMILES
CN(C)C1=CC=C(C=C1)SSC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C16H20N2S2/c1-17(2)13-5-9-15(10-6-13)19-20-16-11-7-14(8-12-16)18(3)4/h5-12H,1-4H3
InChIKey
KKCFDYUJPVROAI-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylamino)phenyl]disulfanyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

42
Patents

304.10678 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11406 167.4
[M+Na]+ 327.09600 173.8
[M-H]- 303.09950 176.2
[M+NH4]+ 322.14060 183.8
[M+K]+ 343.06994 169.4
[M+H-H2O]+ 287.10404 158.9
[M+HCOO]- 349.10498 182.7
[M+CH3COO]- 363.12063 214.7
[M+Na-2H]- 325.08145 168.1
[M]+ 304.10623 171.9
[M]- 304.10733 171.9
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.