CID 6434792

Chembl5192210

Structural Information

Molecular Formula
C21H28NO
SMILES
CC[N+](C)(CC)CCOC1=CC=C(C=C1)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C21H28NO/c1-4-22(3,5-2)17-18-23-21-15-13-20(14-16-21)12-11-19-9-7-6-8-10-19/h6-16H,4-5,17-18H2,1-3H3/q+1/b12-11+
InChIKey
FZVJYCHVZGQABF-VAWYXSNFSA-N
Compound name
diethyl-methyl-[2-[4-[(E)-2-phenylethenyl]phenoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.2171 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.22438 178.9
[M+Na]+ 333.20632 183.4
[M-H]- 309.20982 186.1
[M+NH4]+ 328.25092 193.8
[M+K]+ 349.18026 173.3
[M+H-H2O]+ 293.21436 173.0
[M+HCOO]- 355.21530 201.6
[M+CH3COO]- 369.23095 205.9
[M+Na-2H]- 331.19177 186.0
[M]+ 310.21655 180.4
[M]- 310.21765 180.4
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.