CID 710597

1-(mesitylsulfonyl)-4-phenylpiperazine

Structural Information

Molecular Formula
C19H24N2O2S
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)C
InChI
InChI=1S/C19H24N2O2S/c1-15-13-16(2)19(17(3)14-15)24(22,23)21-11-9-20(10-12-21)18-7-5-4-6-8-18/h4-8,13-14H,9-12H2,1-3H3
InChIKey
BVAYZVVKMGUPOB-UHFFFAOYSA-N
Compound name
1-phenyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

344.15585 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16313 182.0
[M+Na]+ 367.14507 189.4
[M-H]- 343.14857 188.8
[M+NH4]+ 362.18967 193.1
[M+K]+ 383.11901 183.5
[M+H-H2O]+ 327.15311 172.5
[M+HCOO]- 389.15405 193.3
[M+CH3COO]- 403.16970 210.6
[M+Na-2H]- 365.13052 182.2
[M]+ 344.15530 181.6
[M]- 344.15640 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.