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]+ 372.23218 195.6
[M+Na]+ 394.21412 197.9
[M-H]- 370.21762 204.9
[M+NH4]+ 389.25872 206.8
[M+K]+ 410.18806 193.0
[M+H-H2O]+ 354.22216 184.8
[M+HCOO]- 416.22310 216.8
[M+CH3COO]- 430.23875 225.2
[M+Na-2H]- 392.19957 196.0
[M]+ 371.22435 196.1
[M]- 371.22545 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