CID 3068284

83337-86-4

Structural Information

Molecular Formula
C19H18Cl2N2O2
SMILES
C1=CC=C(C=C1)COCC(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C19H18Cl2N2O2/c20-16-6-7-17(18(21)10-16)19(24,12-23-9-8-22-14-23)13-25-11-15-4-2-1-3-5-15/h1-10,14,24H,11-13H2
InChIKey
RTTBHHOQHVMIDS-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-phenylmethoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.07452 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.08180 186.7
[M+Na]+ 399.06374 194.9
[M-H]- 375.06724 191.6
[M+NH4]+ 394.10834 198.0
[M+K]+ 415.03768 187.2
[M+H-H2O]+ 359.07178 177.3
[M+HCOO]- 421.07272 196.1
[M+CH3COO]- 435.08837 210.0
[M+Na-2H]- 397.04919 189.3
[M]+ 376.07397 191.1
[M]- 376.07507 191.1
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.