CID 3051226

Piperazine, 1-((5h-dibenzo(a,d)cyclohepten-5-yl)sulfonyl)-4-methyl-

Structural Information

Molecular Formula
C20H24N2O2S
SMILES
CN1CCN(CC1)S(=O)(=O)C2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C20H24N2O2S/c1-21-12-14-22(15-13-21)25(23,24)20-18-8-4-2-6-16(18)10-11-17-7-3-5-9-19(17)20/h2-9,20H,10-15H2,1H3
InChIKey
ABJBXGUBXHNMKN-UHFFFAOYSA-N
Compound name
1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.15585 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16313 185.7
[M+Na]+ 379.14507 197.1
[M+NH4]+ 374.18967 193.3
[M+K]+ 395.11901 188.8
[M-H]- 355.14857 189.1
[M+Na-2H]- 377.13052 191.2
[M]+ 356.15530 188.9
[M]- 356.15640 188.9
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.