CID 6913112

Sr-31747 free base

Structural Information

Molecular Formula
C23H34ClN
SMILES
CCN(C/C=C\C1=CC(=C(C=C1)C2CCCCC2)Cl)C3CCCCC3
InChI
InChI=1S/C23H34ClN/c1-2-25(21-13-7-4-8-14-21)17-9-10-19-15-16-22(23(24)18-19)20-11-5-3-6-12-20/h9-10,15-16,18,20-21H,2-8,11-14,17H2,1H3/b10-9-
InChIKey
MYKJVLTXPNIGOV-KTKRTIGZSA-N
Compound name
N-[(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]-N-ethylcyclohexanamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

21
References

253
Patents

359.23798 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.24526 193.1
[M+Na]+ 382.22720 193.2
[M-H]- 358.23070 200.7
[M+NH4]+ 377.27180 205.9
[M+K]+ 398.20114 186.5
[M+H-H2O]+ 342.23524 183.5
[M+HCOO]- 404.23618 204.1
[M+CH3COO]- 418.25183 219.5
[M+Na-2H]- 380.21265 190.0
[M]+ 359.23743 186.7
[M]- 359.23853 186.7
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.