CID 209389

19805-67-5

Structural Information

Molecular Formula
C18H20N2S
SMILES
CN1CCN(CC1)CC2=C3C(=CC=C2)C4=CC=CC=C4S3
InChI
InChI=1S/C18H20N2S/c1-19-9-11-20(12-10-19)13-14-5-4-7-16-15-6-2-3-8-17(15)21-18(14)16/h2-8H,9-13H2,1H3
InChIKey
IDKYBEVPWWHJPN-UHFFFAOYSA-N
Compound name
1-(dibenzothiophen-4-ylmethyl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1347 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.141976 167.6
[M+Na]+ 319.123918 176.8
[M-H]- 295.127424 173.3
[M+NH4]+ 314.168523 185.0
[M+K]+ 335.097858 170.3
[M+H-H2O]+ 279.131960 159.4
[M+HCOO]- 341.132901 180.9
[M+CH3COO]- 355.148551 178.7
[M+Na-2H]- 317.109366 169.7
[M]+ 296.13415142 168.3
[M]- 296.13524858 168.3
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.