CID 3038104

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

Structural Information

Molecular Formula
C15H16Cl2N2O
SMILES
CCCCO/C(=C\N1C=CN=C1)/C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H16Cl2N2O/c1-2-3-8-20-15(10-19-7-6-18-11-19)13-5-4-12(16)9-14(13)17/h4-7,9-11H,2-3,8H2,1H3/b15-10-
InChIKey
WSOAIAJKFKYATC-GDNBJRDFSA-N
Compound name
1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

310.06396 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.07124 170.1
[M+Na]+ 333.05318 179.1
[M-H]- 309.05668 173.0
[M+NH4]+ 328.09778 185.2
[M+K]+ 349.02712 172.1
[M+H-H2O]+ 293.06122 161.8
[M+HCOO]- 355.06216 181.6
[M+CH3COO]- 369.07781 201.9
[M+Na-2H]- 331.03863 170.9
[M]+ 310.06341 174.9
[M]- 310.06451 174.9
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