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

22
References

32
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

literature stripe

Patent stripe

patents stripe