CID 209391

19806-46-3

Structural Information

Molecular Formula
C18H18N2OS
SMILES
CN1CCN(CC1)C(=O)C2=CC=CC3=C2SC4=CC=CC=C34
InChI
InChI=1S/C18H18N2OS/c1-19-9-11-20(12-10-19)18(21)15-7-4-6-14-13-5-2-3-8-16(13)22-17(14)15/h2-8H,9-12H2,1H3
InChIKey
NLQGCLVUQVJZOZ-UHFFFAOYSA-N
Compound name
dibenzothiophen-4-yl-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.11398 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12126 171.0
[M+Na]+ 333.10320 179.9
[M-H]- 309.10670 176.9
[M+NH4]+ 328.14780 187.6
[M+K]+ 349.07714 174.0
[M+H-H2O]+ 293.11124 163.1
[M+HCOO]- 355.11218 183.6
[M+CH3COO]- 369.12783 181.8
[M+Na-2H]- 331.08865 172.3
[M]+ 310.11343 171.9
[M]- 310.11453 171.9
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.