CID 377668

Alpha-methoxymethyl-4-o-tolyl-1-piperazineethanol methylcarbamate

Structural Information

Molecular Formula
C17H27N3O3
SMILES
CC1=CC=CC=C1N2CCN(CC2)CC(COC)OC(=O)NC
InChI
InChI=1S/C17H27N3O3/c1-14-6-4-5-7-16(14)20-10-8-19(9-11-20)12-15(13-22-3)23-17(21)18-2/h4-7,15H,8-13H2,1-3H3,(H,18,21)
InChIKey
FQAYLEMUHCIKDA-UHFFFAOYSA-N
Compound name
[1-methoxy-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-yl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20523 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21251 179.0
[M+Na]+ 344.19445 181.7
[M-H]- 320.19795 181.5
[M+NH4]+ 339.23905 189.7
[M+K]+ 360.16839 179.5
[M+H-H2O]+ 304.20249 168.9
[M+HCOO]- 366.20343 195.2
[M+CH3COO]- 380.21908 210.4
[M+Na-2H]- 342.17990 179.3
[M]+ 321.20468 178.1
[M]- 321.20578 178.1
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.