CID 13416870

Piperazinium, 1-ethyl-4-(2-(p-hydroxyphenoxy)acetyl)-1-methyl-, iodide, dimethylcarbamate

Structural Information

Molecular Formula
C18H28N3O4
SMILES
CC[N+]1(CCN(CC1)C(=O)COC2=CC=C(C=C2)OC(=O)N(C)C)C
InChI
InChI=1S/C18H28N3O4/c1-5-21(4)12-10-20(11-13-21)17(22)14-24-15-6-8-16(9-7-15)25-18(23)19(2)3/h6-9H,5,10-14H2,1-4H3/q+1
InChIKey
LYTOWPKJFBITFM-UHFFFAOYSA-N
Compound name
[4-[2-(4-ethyl-4-methylpiperazin-4-ium-1-yl)-2-oxoethoxy]phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.20798 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.21526 182.5
[M+Na]+ 373.19720 186.0
[M-H]- 349.20070 187.0
[M+NH4]+ 368.24180 194.7
[M+K]+ 389.17114 179.7
[M+H-H2O]+ 333.20524 175.9
[M+HCOO]- 395.20618 198.9
[M+CH3COO]- 409.22183 209.4
[M+Na-2H]- 371.18265 185.8
[M]+ 350.20743 182.4
[M]- 350.20853 182.4
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.