CID 55697

87415-50-7

Structural Information

Molecular Formula
C23H26ClN2O3
SMILES
C[N+](C)(CC(COC1=CC=CC2=CC=CC=C21)O)CC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H25ClN2O3/c1-26(2,15-23(28)25-19-12-10-18(24)11-13-19)14-20(27)16-29-22-9-5-7-17-6-3-4-8-21(17)22/h3-13,20,27H,14-16H2,1-2H3/p+1
InChIKey
CQTFDYDACHLEFJ-UHFFFAOYSA-O
Compound name
[2-(4-chloroanilino)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.1632 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.17048 198.8
[M+Na]+ 436.15242 202.7
[M-H]- 412.15592 205.3
[M+NH4]+ 431.19702 209.8
[M+K]+ 452.12636 191.9
[M+H-H2O]+ 396.16046 193.1
[M+HCOO]- 458.16140 213.8
[M+CH3COO]- 472.17705 221.9
[M+Na-2H]- 434.13787 205.1
[M]+ 413.16265 201.5
[M]- 413.16375 201.5
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.