CID 171043

51449-18-4

Structural Information

Molecular Formula
C18H21NS2
SMILES
CCN(CC)C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)S)S
InChI
InChI=1S/C18H21NS2/c1-3-19(4-2)16-12-10-15(11-13-16)18(21)17(20)14-8-6-5-7-9-14/h5-13,20-21H,3-4H2,1-2H3
InChIKey
MQONFQOYKMNFAP-UHFFFAOYSA-N
Compound name
1-[4-(diethylamino)phenyl]-2-phenylethene-1,2-dithiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.11154 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11882 171.5
[M+Na]+ 338.10076 176.8
[M-H]- 314.10426 178.5
[M+NH4]+ 333.14536 186.9
[M+K]+ 354.07470 171.2
[M+H-H2O]+ 298.10880 163.5
[M+HCOO]- 360.10974 183.2
[M+CH3COO]- 374.12539 211.5
[M+Na-2H]- 336.08621 170.0
[M]+ 315.11099 174.0
[M]- 315.11209 174.0
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.