CID 13416858

1-(2-(2-(m-hydroxyphenoxy)acetamido)ethyl)-1-methylpiperidinium iodide dimethylcarbamate

Structural Information

Molecular Formula
C19H30N3O4
SMILES
CN(C)C(=O)OC1=CC=CC(=C1)OCC(=O)NCC[N+]2(CCCCC2)C
InChI
InChI=1S/C19H29N3O4/c1-21(2)19(24)26-17-9-7-8-16(14-17)25-15-18(23)20-10-13-22(3)11-5-4-6-12-22/h7-9,14H,4-6,10-13,15H2,1-3H3/p+1
InChIKey
BIWSREDQWOHXLU-UHFFFAOYSA-O
Compound name
[3-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.22363 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.23091 187.0
[M+Na]+ 387.21285 188.1
[M-H]- 363.21635 192.1
[M+NH4]+ 382.25745 199.2
[M+K]+ 403.18679 181.8
[M+H-H2O]+ 347.22089 180.5
[M+HCOO]- 409.22183 205.3
[M+CH3COO]- 423.23748 213.5
[M+Na-2H]- 385.19830 190.6
[M]+ 364.22308 185.6
[M]- 364.22418 185.6
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.