CID 6441334

71550-24-8

Structural Information

Molecular Formula
C24H30N3O2
SMILES
CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)/C=C(\C#N)/C(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C24H30N3O2/c1-5-26(19-21-9-7-6-8-10-21)23-13-11-20(12-14-23)17-22(18-25)24(28)29-16-15-27(2,3)4/h6-14,17H,5,15-16,19H2,1-4H3/q+1/b22-17+
InChIKey
OLJQWNLOIRXBBG-OQKWZONESA-N
Compound name
2-[(E)-3-[4-[benzyl(ethyl)amino]phenyl]-2-cyanoprop-2-enoyl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

392.2338 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.24108 206.8
[M+Na]+ 415.22302 211.3
[M-H]- 391.22652 213.0
[M+NH4]+ 410.26762 216.5
[M+K]+ 431.19696 201.7
[M+H-H2O]+ 375.23106 193.1
[M+HCOO]- 437.23200 224.3
[M+CH3COO]- 451.24765 233.3
[M+Na-2H]- 413.20847 208.4
[M]+ 392.23325 203.1
[M]- 392.23435 203.1
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.