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]+ 335.19655 179.1
[M+Na]+ 357.17849 180.1
[M-H]- 333.18199 179.9
[M+NH4]+ 352.22309 190.6
[M+K]+ 373.15243 171.5
[M+H-H2O]+ 317.18653 175.7
[M+HCOO]- 379.18747 194.0
[M+CH3COO]- 393.20312 197.7
[M+Na-2H]- 355.16394 182.1
[M]+ 334.18872 172.6
[M]- 334.18982 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.