CID 55695

Ammonium, dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)(((2,6-xylyl)carbamoyl)methyl)-, chloride

Structural Information

Molecular Formula
C25H31N2O3
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CC(COC2=CC=CC3=CC=CC=C32)O
InChI
InChI=1S/C25H30N2O3/c1-18-9-7-10-19(2)25(18)26-24(29)16-27(3,4)15-21(28)17-30-23-14-8-12-20-11-5-6-13-22(20)23/h5-14,21,28H,15-17H2,1-4H3/p+1
InChIKey
GZSASUMGAPLBNA-UHFFFAOYSA-O
Compound name
[2-(2,6-dimethylanilino)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

407.23346 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.24074 201.4
[M+Na]+ 430.22268 204.6
[M-H]- 406.22618 208.2
[M+NH4]+ 425.26728 212.0
[M+K]+ 446.19662 195.0
[M+H-H2O]+ 390.23072 194.7
[M+HCOO]- 452.23166 220.1
[M+CH3COO]- 466.24731 225.5
[M+Na-2H]- 428.20813 206.5
[M]+ 407.23291 202.6
[M]- 407.23401 202.6
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.