CID 6446310

2-propen-1-amine, 3-(3-chloro-4-cyclohexylphenyl)-n,n-diethyl-, hydrochloride

Structural Information

Molecular Formula
C19H28ClN
SMILES
CCN(CC)C/C=C/C1=CC(=C(C=C1)C2CCCCC2)Cl
InChI
InChI=1S/C19H28ClN/c1-3-21(4-2)14-8-9-16-12-13-18(19(20)15-16)17-10-6-5-7-11-17/h8-9,12-13,15,17H,3-7,10-11,14H2,1-2H3/b9-8+
InChIKey
FSLXNEYFKJLFRO-CMDGGOBGSA-N
Compound name
(E)-3-(3-chloro-4-cyclohexylphenyl)-N,N-diethylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

305.19104 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.19832 177.3
[M+Na]+ 328.18026 181.0
[M-H]- 304.18376 183.4
[M+NH4]+ 323.22486 193.3
[M+K]+ 344.15420 175.2
[M+H-H2O]+ 288.18830 169.5
[M+HCOO]- 350.18924 192.7
[M+CH3COO]- 364.20489 210.8
[M+Na-2H]- 326.16571 177.1
[M]+ 305.19049 176.5
[M]- 305.19159 176.5
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