CID 54069846

Schembl5667303

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

7
Patents

371.2249 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.232176 195.6
[M+Na]+ 394.214118 197.9
[M-H]- 370.217624 204.9
[M+NH4]+ 389.258723 206.8
[M+K]+ 410.188058 193.0
[M+H-H2O]+ 354.222160 184.8
[M+HCOO]- 416.223101 216.8
[M+CH3COO]- 430.238751 225.2
[M+Na-2H]- 392.199566 196.0
[M]+ 371.22435142 196.1
[M]- 371.22544858 196.1
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

patents stripe