CID 3038386

Benzeneethanamine, 4-methoxy-beta-(1-(4-methoxyphenyl)propylidene)-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C21H27NO2
SMILES
CC/C(=C(\CN(C)C)/C1=CC=C(C=C1)OC)/C2=CC=C(C=C2)OC
InChI
InChI=1S/C21H27NO2/c1-6-20(16-7-11-18(23-4)12-8-16)21(15-22(2)3)17-9-13-19(24-5)14-10-17/h7-14H,6,15H2,1-5H3/b21-20-
InChIKey
SNPQVWDZLKNKQO-MRCUWXFGSA-N
Compound name
(E)-2,3-bis(4-methoxyphenyl)-N,N-dimethylpent-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 181.8
[M+Na]+ 348.19342 186.1
[M-H]- 324.19692 189.1
[M+NH4]+ 343.23802 196.0
[M+K]+ 364.16736 183.6
[M+H-H2O]+ 308.20146 172.9
[M+HCOO]- 370.20240 203.9
[M+CH3COO]- 384.21805 217.8
[M+Na-2H]- 346.17887 181.8
[M]+ 325.20365 185.5
[M]- 325.20475 185.5
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

No patent data available for this compound.