CID 37177

Dibenzothiophene-2,8-diylbis((n-carbonylmethylene)dimethylamine) dihydrochloride trihydrate

Structural Information

Molecular Formula
C20H22N2O2S
SMILES
CN(C)CC(=O)C1=CC2=C(C=C1)SC3=C2C=C(C=C3)C(=O)CN(C)C
InChI
InChI=1S/C20H22N2O2S/c1-21(2)11-17(23)13-5-7-19-15(9-13)16-10-14(6-8-20(16)25-19)18(24)12-22(3)4/h5-10H,11-12H2,1-4H3
InChIKey
LHEGATUXJNBGRM-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-[8-[2-(dimethylamino)acetyl]dibenzothiophen-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

354.1402 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14748 182.6
[M+Na]+ 377.12942 193.7
[M+NH4]+ 372.17402 191.1
[M+K]+ 393.10336 187.0
[M-H]- 353.13292 186.7
[M+Na-2H]- 375.11487 187.6
[M]+ 354.13965 185.8
[M]- 354.14075 185.8
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

patents stripe