CID 6479469

(e)-3-(5-chloro-2-sec-butoxy-phenyl)-3-imidazol-1-yl-n,n-dimethyl-prop-2-en-1-amine

Structural Information

Molecular Formula
C18H24ClN3O
SMILES
CCC(C)OC1=C(C=C(C=C1)Cl)/C(=C\CN(C)C)/N2C=CN=C2
InChI
InChI=1S/C18H24ClN3O/c1-5-14(2)23-18-7-6-15(19)12-16(18)17(8-10-21(3)4)22-11-9-20-13-22/h6-9,11-14H,5,10H2,1-4H3/b17-8+
InChIKey
QJOYRIWQVNBZBM-CAOOACKPSA-N
Compound name
(E)-3-(2-butan-2-yloxy-5-chlorophenyl)-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

333.1608 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16808 181.7
[M+Na]+ 356.15002 188.0
[M-H]- 332.15352 186.6
[M+NH4]+ 351.19462 195.7
[M+K]+ 372.12396 183.5
[M+H-H2O]+ 316.15806 172.4
[M+HCOO]- 378.15900 198.1
[M+CH3COO]- 392.17465 215.5
[M+Na-2H]- 354.13547 180.5
[M]+ 333.16025 186.8
[M]- 333.16135 186.8
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

No patent data available for this compound.