CID 3046525

Brn 0900638

Structural Information

Molecular Formula
C19H19ClN2O3S
SMILES
COC1=CC=CC=C1N2CCN(CC2)C3=C(S(=O)(=O)C4=CC=CC=C43)Cl
InChI
InChI=1S/C19H19ClN2O3S/c1-25-16-8-4-3-7-15(16)21-10-12-22(13-11-21)18-14-6-2-5-9-17(14)26(23,24)19(18)20/h2-9H,10-13H2,1H3
InChIKey
FQPLDIZYTJUZKV-UHFFFAOYSA-N
Compound name
2-chloro-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-benzothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.0805 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.08778 188.4
[M+Na]+ 413.06972 199.1
[M-H]- 389.07322 196.9
[M+NH4]+ 408.11432 203.5
[M+K]+ 429.04366 192.5
[M+H-H2O]+ 373.07776 180.1
[M+HCOO]- 435.07870 197.6
[M+CH3COO]- 449.09435 198.9
[M+Na-2H]- 411.05517 188.4
[M]+ 390.07995 192.7
[M]- 390.08105 192.7
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.