CID 37907

Climbazole

Structural Information

Molecular Formula
C15H17ClN2O2
SMILES
CC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3
InChIKey
OWEGWHBOCFMBLP-UHFFFAOYSA-N
Compound name
1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

65
References

18065
Patents

292.09787 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10515 166.8
[M+Na]+ 315.08709 174.6
[M-H]- 291.09059 170.9
[M+NH4]+ 310.13169 182.0
[M+K]+ 331.06103 170.5
[M+H-H2O]+ 275.09513 158.9
[M+HCOO]- 337.09607 181.3
[M+CH3COO]- 351.11172 199.6
[M+Na-2H]- 313.07254 169.1
[M]+ 292.09732 170.8
[M]- 292.09842 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe