CID 3075862

Benzamide, 5-(aminosulfonyl)-2-methoxy-n-(3-(4-methyl-1-piperazinyl)propyl)-, ethanedioate (1:2)

Structural Information

Molecular Formula
C16H26N4O4S
SMILES
CN1CCN(CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
InChI
InChI=1S/C16H26N4O4S/c1-19-8-10-20(11-9-19)7-3-6-18-16(21)14-12-13(25(17,22)23)4-5-15(14)24-2/h4-5,12H,3,6-11H2,1-2H3,(H,18,21)(H2,17,22,23)
InChIKey
RTSCDXUIFPYRBY-UHFFFAOYSA-N
Compound name
2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.16748 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17476 184.6
[M+Na]+ 393.15670 191.8
[M+NH4]+ 388.20130 188.5
[M+K]+ 409.13064 186.6
[M-H]- 369.16020 185.3
[M+Na-2H]- 391.14215 187.6
[M]+ 370.16693 185.7
[M]- 370.16803 185.7
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.