CID 6479465

(e)-3-imidazol-1-yl-n,n-dimethyl-3-(2-sec-butoxyphenyl)prop-2-en-1-amine

Structural Information

Molecular Formula
C18H25N3O
SMILES
CCC(C)OC1=CC=CC=C1/C(=C\CN(C)C)/N2C=CN=C2
InChI
InChI=1S/C18H25N3O/c1-5-15(2)22-18-9-7-6-8-16(18)17(10-12-20(3)4)21-13-11-19-14-21/h6-11,13-15H,5,12H2,1-4H3/b17-10+
InChIKey
PLWUTAFGLKIADP-LICLKQGHSA-N
Compound name
(E)-3-(2-butan-2-yloxyphenyl)-3-imidazol-1-yl-N,N-dimethylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.19977 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.20705 175.1
[M+Na]+ 322.18899 179.7
[M-H]- 298.19249 179.9
[M+NH4]+ 317.23359 189.4
[M+K]+ 338.16293 177.1
[M+H-H2O]+ 282.19703 165.2
[M+HCOO]- 344.19797 196.2
[M+CH3COO]- 358.21362 210.8
[M+Na-2H]- 320.17444 175.1
[M]+ 299.19922 177.7
[M]- 299.20032 177.7
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.