CID 55705

Ammonium, dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)((mesitylcarbamoyl)methyl)-, chloride

Structural Information

Molecular Formula
C26H33N2O3
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)C[N+](C)(C)CC(COC2=CC=CC3=CC=CC=C32)O)C
InChI
InChI=1S/C26H32N2O3/c1-18-13-19(2)26(20(3)14-18)27-25(30)16-28(4,5)15-22(29)17-31-24-12-8-10-21-9-6-7-11-23(21)24/h6-14,22,29H,15-17H2,1-5H3/p+1
InChIKey
NZIABLNBSAKBCW-UHFFFAOYSA-O
Compound name
(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

421.2491 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.25638 204.3
[M+Na]+ 444.23832 218.3
[M+NH4]+ 439.28292 212.1
[M+K]+ 460.21226 211.4
[M-H]- 420.24182 211.0
[M+Na-2H]- 442.22377 211.8
[M]+ 421.24855 208.7
[M]- 421.24965 208.7
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.