CID 3051248

N-(1-hydroxy-2-naphthyl)methyl-n-methylpiperidinium bromide dimethylcarbamate

Structural Information

Molecular Formula
C20H27N2O2
SMILES
CN(C)C(=O)OC1=C(C=CC2=CC=CC=C21)C[N+]3(CCCCC3)C
InChI
InChI=1S/C20H27N2O2/c1-21(2)20(23)24-19-17(15-22(3)13-7-4-8-14-22)12-11-16-9-5-6-10-18(16)19/h5-6,9-12H,4,7-8,13-15H2,1-3H3/q+1
InChIKey
SDJOTZGWZDGTHD-UHFFFAOYSA-N
Compound name
[2-[(1-methylpiperidin-1-ium-1-yl)methyl]naphthalen-1-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.20724 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.214516 180.1
[M+Na]+ 350.196458 184.0
[M-H]- 326.199964 186.5
[M+NH4]+ 345.241063 195.5
[M+K]+ 366.170398 175.4
[M+H-H2O]+ 310.204500 173.3
[M+HCOO]- 372.205441 197.0
[M+CH3COO]- 386.221091 207.1
[M+Na-2H]- 348.181906 185.4
[M]+ 327.20669142 177.2
[M]- 327.20778858 177.2
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.