CID 6437582

2-propen-1-amine, n,n-dimethyl-3-(p-chlorophenyl)-3-phenyl-, hydrochloride

Structural Information

Molecular Formula
C17H18ClN
SMILES
CN(C)C/C=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H18ClN/c1-19(2)13-12-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-12H,13H2,1-2H3/b17-12+
InChIKey
XDXDUKLLNMOSNS-SFQUDFHCSA-N
Compound name
(E)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.11276 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12004 163.8
[M+Na]+ 294.10198 170.3
[M-H]- 270.10548 171.2
[M+NH4]+ 289.14658 181.1
[M+K]+ 310.07592 164.9
[M+H-H2O]+ 254.11002 156.5
[M+HCOO]- 316.11096 183.4
[M+CH3COO]- 330.12661 203.5
[M+Na-2H]- 292.08743 167.4
[M]+ 271.11221 165.8
[M]- 271.11331 165.8
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.