CID 94743

Bis[p-[dimethylamino]phenyl]disulfide

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

41
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

literature stripe

Patent stripe

patents stripe