CID 3256857

N-(para-glutaramidophenyl-ethyl)-piperidinium-n-oxide

Structural Information

Molecular Formula
C18H26N2O4
SMILES
C1CC[N+](CC1)(CCC2=CC=C(C=C2)NC(=O)CCCC(=O)O)[O-]
InChI
InChI=1S/C18H26N2O4/c21-17(5-4-6-18(22)23)19-16-9-7-15(8-10-16)11-14-20(24)12-2-1-3-13-20/h7-10H,1-6,11-14H2,(H,19,21)(H,22,23)
InChIKey
RKJXWOJUCCBWSC-UHFFFAOYSA-N
Compound name
5-[4-[2-(1-oxidopiperidin-1-ium-1-yl)ethyl]anilino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.18927 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.196546 179.1
[M+Na]+ 357.178488 180.1
[M-H]- 333.181994 179.9
[M+NH4]+ 352.223093 190.6
[M+K]+ 373.152428 171.5
[M+H-H2O]+ 317.186530 175.7
[M+HCOO]- 379.187471 194.0
[M+CH3COO]- 393.203121 197.7
[M+Na-2H]- 355.163936 182.1
[M]+ 334.18872142 172.6
[M]- 334.18981858 172.6
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.