CID 3075864

129051-66-7

Structural Information

Molecular Formula
C22H30N4O4S
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)OC
InChI
InChI=1S/C22H30N4O4S/c1-17-4-6-18(7-5-17)26-14-12-25(13-15-26)11-3-10-24-22(27)20-16-19(31(23,28)29)8-9-21(20)30-2/h4-9,16H,3,10-15H2,1-2H3,(H,24,27)(H2,23,28,29)
InChIKey
IFZHSRQACZNBJX-UHFFFAOYSA-N
Compound name
2-methoxy-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

446.1988 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.20608 206.0
[M+Na]+ 469.18802 209.3
[M-H]- 445.19152 211.3
[M+NH4]+ 464.23262 211.3
[M+K]+ 485.16196 203.8
[M+H-H2O]+ 429.19606 195.3
[M+HCOO]- 491.19700 217.1
[M+CH3COO]- 505.21265 233.2
[M+Na-2H]- 467.17347 205.4
[M]+ 446.19825 205.6
[M]- 446.19935 205.6
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.