CID 4784722

1-(4-chlorobenzenesulfonyl)-4-(1h-imidazole-1-carbonyl)piperazine

Structural Information

Molecular Formula
C14H15ClN4O3S
SMILES
C1CN(CCN1C(=O)N2C=CN=C2)S(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H15ClN4O3S/c15-12-1-3-13(4-2-12)23(21,22)19-9-7-17(8-10-19)14(20)18-6-5-16-11-18/h1-6,11H,7-10H2
InChIKey
YKLXFGRKCPJSGZ-UHFFFAOYSA-N
Compound name
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-imidazol-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

354.05533 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.06261 179.1
[M+Na]+ 377.04455 187.4
[M-H]- 353.04805 183.9
[M+NH4]+ 372.08915 189.3
[M+K]+ 393.01849 182.0
[M+H-H2O]+ 337.05259 169.9
[M+HCOO]- 399.05353 185.1
[M+CH3COO]- 413.06918 188.3
[M+Na-2H]- 375.03000 178.9
[M]+ 354.05478 180.0
[M]- 354.05588 180.0
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.