CID 3051250

Ro 2-1584

Structural Information

Molecular Formula
C20H27N2O2
SMILES
CN(C)C(=O)OC1=C(C2=CC=CC=C2C=C1)C[N+]3(CCCCC3)C
InChI
InChI=1S/C20H27N2O2/c1-21(2)20(23)24-19-12-11-16-9-5-6-10-17(16)18(19)15-22(3)13-7-4-8-14-22/h5-6,9-12H,4,7-8,13-15H2,1-3H3/q+1
InChIKey
SOXPPDIQHOAZFV-UHFFFAOYSA-N
Compound name
[1-[(1-methylpiperidin-1-ium-1-yl)methyl]naphthalen-2-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]+ 328.21452 180.1
[M+Na]+ 350.19646 184.0
[M-H]- 326.19996 186.5
[M+NH4]+ 345.24106 195.5
[M+K]+ 366.17040 175.4
[M+H-H2O]+ 310.20450 173.3
[M+HCOO]- 372.20544 197.0
[M+CH3COO]- 386.22109 207.1
[M+Na-2H]- 348.18191 185.4
[M]+ 327.20669 177.2
[M]- 327.20779 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.