CID 122535

N,n-dimethyl-4,4-diphenyl-3-buten-2-amine hydrochloride

Structural Information

Molecular Formula
C18H21N
SMILES
CC(C=C(C1=CC=CC=C1)C2=CC=CC=C2)N(C)C
InChI
InChI=1S/C18H21N/c1-15(19(2)3)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,1-3H3
InChIKey
QZWMYBWMOFESDA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4,4-diphenylbut-3-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

251.1674 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17468 162.5
[M+Na]+ 274.15662 176.0
[M+NH4]+ 269.20122 171.8
[M+K]+ 290.13056 167.6
[M-H]- 250.16012 168.4
[M+Na-2H]- 272.14207 172.3
[M]+ 251.16685 166.2
[M]- 251.16795 166.2
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