CID 3075857

Benzamide, 5-(aminosulfonyl)-2-methoxy-n-(3-(4-phenyl-1-piperazinyl)propyl)-, monomethanesulfonate

Structural Information

Molecular Formula
C21H28N4O4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C21H28N4O4S/c1-29-20-9-8-18(30(22,27)28)16-19(20)21(26)23-10-5-11-24-12-14-25(15-13-24)17-6-3-2-4-7-17/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,26)(H2,22,27,28)
InChIKey
WHJSTTOOMUXKBB-UHFFFAOYSA-N
Compound name
2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.18314 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.19042 201.0
[M+Na]+ 455.17236 204.0
[M-H]- 431.17586 206.2
[M+NH4]+ 450.21696 206.7
[M+K]+ 471.14630 198.6
[M+H-H2O]+ 415.18040 190.3
[M+HCOO]- 477.18134 212.5
[M+CH3COO]- 491.19699 228.9
[M+Na-2H]- 453.15781 201.7
[M]+ 432.18259 199.9
[M]- 432.18369 199.9
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.