CID 3068282

83337-80-8

Structural Information

Molecular Formula
C15H16Cl2N2O2
SMILES
C=CCOCC(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C15H16Cl2N2O2/c1-2-7-21-10-15(20,9-19-6-5-18-11-19)13-4-3-12(16)8-14(13)17/h2-6,8,11,20H,1,7,9-10H2
InChIKey
KNWOUSMMYJNHDA-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.05887 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.06615 174.0
[M+Na]+ 349.04809 183.0
[M-H]- 325.05159 176.0
[M+NH4]+ 344.09269 187.8
[M+K]+ 365.02203 175.9
[M+H-H2O]+ 309.05613 166.4
[M+HCOO]- 371.05707 183.7
[M+CH3COO]- 385.07272 201.6
[M+Na-2H]- 347.03354 176.4
[M]+ 326.05832 178.6
[M]- 326.05942 178.6
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.