CID 3045883

1-(4-(2,4-dichlorophenyl)-2-(2-propenyloxy)butyl)-1h-imidazole nitrate

Structural Information

Molecular Formula
C16H18Cl2N2O
SMILES
C=CCOC(CCC1=C(C=C(C=C1)Cl)Cl)CN2C=CN=C2
InChI
InChI=1S/C16H18Cl2N2O/c1-2-9-21-15(11-20-8-7-19-12-20)6-4-13-3-5-14(17)10-16(13)18/h2-3,5,7-8,10,12,15H,1,4,6,9,11H2
InChIKey
HDGCVCKLRFRXMQ-UHFFFAOYSA-N
Compound name
1-[4-(2,4-dichlorophenyl)-2-prop-2-enoxybutyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.07962 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.08690 174.4
[M+Na]+ 347.06884 182.8
[M-H]- 323.07234 177.1
[M+NH4]+ 342.11344 188.8
[M+K]+ 363.04278 175.6
[M+H-H2O]+ 307.07688 165.8
[M+HCOO]- 369.07782 185.5
[M+CH3COO]- 383.09347 205.4
[M+Na-2H]- 345.05429 174.6
[M]+ 324.07907 179.6
[M]- 324.08017 179.6
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

No patent data available for this compound.