CID 71045

1226-46-6

Structural Information

Molecular Formula
C17H20N2S
SMILES
CN(C)C1=CC=C(C=C1)C(=S)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C17H20N2S/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3
InChIKey
KFUJUTFTRXYQMG-UHFFFAOYSA-N
Compound name
bis[4-(dimethylamino)phenyl]methanethione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

783
Patents

284.1347 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14198 166.7
[M+Na]+ 307.12392 172.6
[M-H]- 283.12742 176.1
[M+NH4]+ 302.16852 183.6
[M+K]+ 323.09786 169.5
[M+H-H2O]+ 267.13196 158.2
[M+HCOO]- 329.13290 186.8
[M+CH3COO]- 343.14855 213.6
[M+Na-2H]- 305.10937 167.2
[M]+ 284.13415 169.6
[M]- 284.13525 169.6
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.