CID 3075860

129011-02-5

Structural Information

Molecular Formula
C21H27ClN4O4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCCCN2CCN(CC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C21H27ClN4O4S/c1-30-20-7-6-18(31(23,28)29)15-19(20)21(27)24-8-3-9-25-10-12-26(13-11-25)17-5-2-4-16(22)14-17/h2,4-7,14-15H,3,8-13H2,1H3,(H,24,27)(H2,23,28,29)
InChIKey
HCGMCTJXDBZVBW-UHFFFAOYSA-N
Compound name
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxy-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

466.14417 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.15145 206.4
[M+Na]+ 489.13339 216.8
[M+NH4]+ 484.17799 211.0
[M+K]+ 505.10733 209.2
[M-H]- 465.13689 210.0
[M+Na-2H]- 487.11884 212.4
[M]+ 466.14362 209.3
[M]- 466.14472 209.3
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.