CID 23728496

78693-91-1

Structural Information

Molecular Formula
C24H24ClNO
SMILES
CCNCCOC1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\Cl)/C3=CC=CC=C3
InChI
InChI=1S/C24H24ClNO/c1-2-26-17-18-27-22-15-13-20(14-16-22)23(19-9-5-3-6-10-19)24(25)21-11-7-4-8-12-21/h3-16,26H,2,17-18H2,1H3/b24-23-
InChIKey
JZPXQFJYBKJJBY-VHXPQNKSSA-N
Compound name
2-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

377.15463 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.16191 193.1
[M+Na]+ 400.14385 197.1
[M-H]- 376.14735 201.1
[M+NH4]+ 395.18845 204.5
[M+K]+ 416.11779 189.4
[M+H-H2O]+ 360.15189 183.5
[M+HCOO]- 422.15283 210.1
[M+CH3COO]- 436.16848 219.5
[M+Na-2H]- 398.12930 194.9
[M]+ 377.15408 194.4
[M]- 377.15518 194.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe