CID 6434848

Ammonium, benzyldiethyl(2-(p-styrylphenoxy)ethyl)-, bromide

Structural Information

Molecular Formula
C27H32NO
SMILES
CC[N+](CC)(CCOC1=CC=C(C=C1)/C=C/C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C27H32NO/c1-3-28(4-2,23-26-13-9-6-10-14-26)21-22-29-27-19-17-25(18-20-27)16-15-24-11-7-5-8-12-24/h5-20H,3-4,21-23H2,1-2H3/q+1/b16-15+
InChIKey
IICXWQDVZBMFFR-FOCLMDBBSA-N
Compound name
benzyl-diethyl-[2-[4-[(E)-2-phenylethenyl]phenoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.24838 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.25566 202.1
[M+Na]+ 409.23760 204.9
[M-H]- 385.24110 211.4
[M+NH4]+ 404.28220 213.0
[M+K]+ 425.21154 192.9
[M+H-H2O]+ 369.24564 193.8
[M+HCOO]- 431.24658 223.7
[M+CH3COO]- 445.26223 219.6
[M+Na-2H]- 407.22305 208.0
[M]+ 386.24783 202.6
[M]- 386.24893 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.