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

665
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

literature stripe

Patent stripe

patents stripe