CID 3068584

1-(2-(2-butoxyethoxy)-2-(2,4-dichlorophenyl)ethenyl)-1h-imidazole nitrate

Structural Information

Molecular Formula
C17H20Cl2N2O2
SMILES
CCCCOCCO/C(=C\N1C=CN=C1)/C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H20Cl2N2O2/c1-2-3-8-22-9-10-23-17(12-21-7-6-20-13-21)15-5-4-14(18)11-16(15)19/h4-7,11-13H,2-3,8-10H2,1H3/b17-12-
InChIKey
NZDHAHXLSZNCJW-ATVHPVEESA-N
Compound name
1-[(Z)-2-(2-butoxyethoxy)-2-(2,4-dichlorophenyl)ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.09018 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.09746 181.5
[M+Na]+ 377.07940 189.5
[M-H]- 353.08290 184.2
[M+NH4]+ 372.12400 194.8
[M+K]+ 393.05334 182.7
[M+H-H2O]+ 337.08744 172.7
[M+HCOO]- 399.08838 192.6
[M+CH3COO]- 413.10403 209.6
[M+Na-2H]- 375.06485 181.4
[M]+ 354.08963 188.5
[M]- 354.09073 188.5
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.