CID 5597

Troxipide

Structural Information

Molecular Formula
C15H22N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCCNC2
InChI
InChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)
InChIKey
YSIITVVESCNIPR-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-piperidin-3-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

30
References

1930
Patents

294.15796 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.165236 168.3
[M+Na]+ 317.147178 172.5
[M-H]- 293.150684 171.6
[M+NH4]+ 312.191783 181.1
[M+K]+ 333.121118 170.3
[M+H-H2O]+ 277.155220 159.7
[M+HCOO]- 339.156161 186.2
[M+CH3COO]- 353.171811 202.5
[M+Na-2H]- 315.132626 169.7
[M]+ 294.15741142 166.9
[M]- 294.15850858 166.9
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

patents stripe