CID 3068280

83337-78-4

Structural Information

Molecular Formula
C17H22Cl2N2O2
SMILES
CC(C)CCOCC(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C17H22Cl2N2O2/c1-13(2)5-8-23-11-17(22,10-21-7-6-20-12-21)15-4-3-14(18)9-16(15)19/h3-4,6-7,9,12-13,22H,5,8,10-11H2,1-2H3
InChIKey
IJJNFIFMBPDMCU-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(3-methylbutoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.10583 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11311 182.8
[M+Na]+ 379.09505 190.3
[M-H]- 355.09855 184.6
[M+NH4]+ 374.13965 195.5
[M+K]+ 395.06899 183.8
[M+H-H2O]+ 339.10309 175.0
[M+HCOO]- 401.10403 190.7
[M+CH3COO]- 415.11968 209.0
[M+Na-2H]- 377.08050 183.2
[M]+ 356.10528 188.3
[M]- 356.10638 188.3
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