CID 6447143

1-butanamine, n,n-dimethyl-4-(2-(2-phenylethenyl)phenoxy)-, hydrochloride

Structural Information

Molecular Formula
C20H25NO
SMILES
CN(C)CCCCOC1=CC=CC=C1/C=C/C2=CC=CC=C2
InChI
InChI=1S/C20H25NO/c1-21(2)16-8-9-17-22-20-13-7-6-12-19(20)15-14-18-10-4-3-5-11-18/h3-7,10-15H,8-9,16-17H2,1-2H3/b15-14+
InChIKey
UBOMOXCJFCWPSI-CCEZHUSRSA-N
Compound name
N,N-dimethyl-4-[2-[(E)-2-phenylethenyl]phenoxy]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

295.1936 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.200876 174.0
[M+Na]+ 318.182818 178.5
[M-H]- 294.186324 180.9
[M+NH4]+ 313.227423 189.3
[M+K]+ 334.156758 174.3
[M+H-H2O]+ 278.190860 164.9
[M+HCOO]- 340.191801 198.2
[M+CH3COO]- 354.207451 210.0
[M+Na-2H]- 316.168266 177.5
[M]+ 295.19305142 176.6
[M]- 295.19414858 176.6
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