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

1
Patents

356.10583 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.113106 182.8
[M+Na]+ 379.095048 190.3
[M-H]- 355.098554 184.6
[M+NH4]+ 374.139653 195.5
[M+K]+ 395.068988 183.8
[M+H-H2O]+ 339.103090 175.0
[M+HCOO]- 401.104031 190.7
[M+CH3COO]- 415.119681 209.0
[M+Na-2H]- 377.080496 183.2
[M]+ 356.10528142 188.3
[M]- 356.10637858 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