CID 162312

38465-55-3

Structural Information

Molecular Formula
C16H17NS2
SMILES
CN(C)C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)S)S
InChI
InChI=1S/C16H17NS2/c1-17(2)14-10-8-13(9-11-14)16(19)15(18)12-6-4-3-5-7-12/h3-11,18-19H,1-2H3
InChIKey
DSKYRGKEEUZVKZ-UHFFFAOYSA-N
Compound name
1-[4-(dimethylamino)phenyl]-2-phenylethene-1,2-dithiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

287.08023 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08751 163.0
[M+Na]+ 310.06945 169.1
[M-H]- 286.07295 170.4
[M+NH4]+ 305.11405 179.5
[M+K]+ 326.04339 164.0
[M+H-H2O]+ 270.07749 155.4
[M+HCOO]- 332.07843 175.2
[M+CH3COO]- 346.09408 205.7
[M+Na-2H]- 308.05490 162.4
[M]+ 287.07968 164.8
[M]- 287.08078 164.8
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.