CID 6435674

(2-hydroxyethyl)triethylammonium iodide 4-stilbenecarboxylate

Structural Information

Molecular Formula
C23H30NO2
SMILES
CC[N+](CC)(CC)CCOC(=O)C1=CC=C(C=C1)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C23H30NO2/c1-4-24(5-2,6-3)18-19-26-23(25)22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+
InChIKey
RHWJQZRAMKNZEJ-OUKQBFOZSA-N
Compound name
triethyl-[2-[4-[(E)-2-phenylethenyl]benzoyl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.22766 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.23494 190.7
[M+Na]+ 375.21688 194.3
[M-H]- 351.22038 197.7
[M+NH4]+ 370.26148 203.7
[M+K]+ 391.19082 184.3
[M+H-H2O]+ 335.22492 184.4
[M+HCOO]- 397.22586 212.2
[M+CH3COO]- 411.24151 212.8
[M+Na-2H]- 373.20233 195.7
[M]+ 352.22711 192.9
[M]- 352.22821 192.9
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.