CID 39752

Mesylphenacyrazine

Structural Information

Molecular Formula
C19H22N2O3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C19H22N2O3S/c1-25(23,24)18-9-7-16(8-10-18)19(22)15-20-11-13-21(14-12-20)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKey
FFABLTPFQJVMGG-UHFFFAOYSA-N
Compound name
1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

358.1351 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.14238 183.8
[M+Na]+ 381.12432 189.0
[M-H]- 357.12782 189.8
[M+NH4]+ 376.16892 193.3
[M+K]+ 397.09826 183.7
[M+H-H2O]+ 341.13236 173.9
[M+HCOO]- 403.13330 194.5
[M+CH3COO]- 417.14895 210.4
[M+Na-2H]- 379.10977 184.7
[M]+ 358.13455 182.6
[M]- 358.13565 182.6
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