CID 3009141

1-[2-(2,4-dichlorophenyl)-2-sec-butoxy-ethyl]imidazole

Structural Information

Molecular Formula
C15H18Cl2N2O
SMILES
CCC(C)OC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H18Cl2N2O/c1-3-11(2)20-15(9-19-7-6-18-10-19)13-5-4-12(16)8-14(13)17/h4-8,10-11,15H,3,9H2,1-2H3
InChIKey
XXTAYVNHNMDZDW-UHFFFAOYSA-N
Compound name
1-[2-butan-2-yloxy-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.07962 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08690 169.9
[M+Na]+ 335.06884 178.2
[M-H]- 311.07234 173.0
[M+NH4]+ 330.11344 184.9
[M+K]+ 351.04278 172.4
[M+H-H2O]+ 295.07688 161.8
[M+HCOO]- 357.07782 180.4
[M+CH3COO]- 371.09347 204.2
[M+Na-2H]- 333.05429 169.7
[M]+ 312.07907 175.1
[M]- 312.08017 175.1
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.