CID 52123

73680-63-4

Structural Information

Molecular Formula
C26H30N3O2
SMILES
C[N+](CCN1CCOCC1)(C2=CC=CC=N2)C(C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H30N3O2/c1-29(24-14-8-9-15-27-24,19-16-28-17-20-31-21-18-28)25(22-10-4-2-5-11-22)26(30)23-12-6-3-7-13-23/h2-15,25H,16-21H2,1H3/q+1
InChIKey
LCRNMXRMFOLSTQ-UHFFFAOYSA-N
Compound name
methyl-(2-morpholin-4-ylethyl)-(2-oxo-1,2-diphenylethyl)-pyridin-2-ylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.2338 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.24108 202.9
[M+Na]+ 439.22302 202.4
[M-H]- 415.22652 212.1
[M+NH4]+ 434.26762 206.7
[M+K]+ 455.19696 192.9
[M+H-H2O]+ 399.23106 191.9
[M+HCOO]- 461.23200 216.2
[M+CH3COO]- 475.24765 222.0
[M+Na-2H]- 437.20847 208.8
[M]+ 416.23325 197.3
[M]- 416.23435 197.3
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.