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]+ 322.212506 179.0
[M+Na]+ 344.194448 181.7
[M-H]- 320.197954 181.5
[M+NH4]+ 339.239053 189.7
[M+K]+ 360.168388 179.5
[M+H-H2O]+ 304.202490 168.9
[M+HCOO]- 366.203431 195.2
[M+CH3COO]- 380.219081 210.4
[M+Na-2H]- 342.179896 179.3
[M]+ 321.20468142 178.1
[M]- 321.20577858 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.