CID 48294

66902-71-4

Structural Information

Molecular Formula
C23H27N2O2
SMILES
CN(C)C(=O)OC1=C(C2=CC=CC=C2C=C1)C[N+](C)(C)CC3=CC=CC=C3
InChI
InChI=1S/C23H27N2O2/c1-24(2)23(26)27-22-15-14-19-12-8-9-13-20(19)21(22)17-25(3,4)16-18-10-6-5-7-11-18/h5-15H,16-17H2,1-4H3/q+1
InChIKey
PYVXRXLSHGRENR-UHFFFAOYSA-N
Compound name
benzyl-[[2-(dimethylcarbamoyloxy)naphthalen-1-yl]methyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.20724 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.21452 187.3
[M+Na]+ 386.19646 202.9
[M+NH4]+ 381.24106 197.0
[M+K]+ 402.17040 195.2
[M-H]- 362.19996 195.6
[M+Na-2H]- 384.18191 197.8
[M]+ 363.20669 192.5
[M]- 363.20779 192.5
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.