CID 3065824

N-(4-guanidino-1-(piperidinocarbonyl)butyl)-p-toluenesulfonamide

Structural Information

Molecular Formula
C18H29N5O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)N2CCCCC2
InChI
InChI=1S/C18H29N5O3S/c1-14-7-9-15(10-8-14)27(25,26)22-16(6-5-11-21-18(19)20)17(24)23-12-3-2-4-13-23/h7-10,16,22H,2-6,11-13H2,1H3,(H4,19,20,21)
InChIKey
HDZKBNCFIRMYSQ-UHFFFAOYSA-N
Compound name
2-[4-[(4-methylphenyl)sulfonylamino]-5-oxo-5-piperidin-1-ylpentyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1991 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.20638 188.9
[M+Na]+ 418.18832 192.6
[M+NH4]+ 413.23292 192.5
[M+K]+ 434.16226 188.3
[M-H]- 394.19182 190.7
[M+Na-2H]- 416.17377 192.0
[M]+ 395.19855 189.5
[M]- 395.19965 189.5
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.