CID 54069846

2-[2-[(ez)-1,2-diphenylbut-1-enyl]phenoxy]-n,n-dimethylethanamine

Structural Information

Molecular Formula
C26H29NO
SMILES
CCC(=C(C1=CC=CC=C1)C2=CC=CC=C2OCCN(C)C)C3=CC=CC=C3
InChI
InChI=1S/C26H29NO/c1-4-23(21-13-7-5-8-14-21)26(22-15-9-6-10-16-22)24-17-11-12-18-25(24)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3
InChIKey
MFQMLUHFOMBTBL-UHFFFAOYSA-N
Compound name
2-[2-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.2249 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.23218 195.9
[M+Na]+ 394.21412 210.4
[M+NH4]+ 389.25872 204.3
[M+K]+ 410.18806 200.4
[M-H]- 370.21762 203.9
[M+Na-2H]- 392.19957 206.9
[M]+ 371.22435 200.4
[M]- 371.22545 200.4
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.