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]+ 327.066146 174.0
[M+Na]+ 349.048088 183.0
[M-H]- 325.051594 176.0
[M+NH4]+ 344.092693 187.8
[M+K]+ 365.022028 175.9
[M+H-H2O]+ 309.056130 166.4
[M+HCOO]- 371.057071 183.7
[M+CH3COO]- 385.072721 201.6
[M+Na-2H]- 347.033536 176.4
[M]+ 326.05832142 178.6
[M]- 326.05941858 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.