CID 206017

73931-98-3

Structural Information

Molecular Formula
C15H19ClN2O
SMILES
CC1=C(C(=C(C(=C1C(CN2C=CN=C2)O)C)C)Cl)C
InChI
InChI=1S/C15H19ClN2O/c1-9-11(3)15(16)12(4)10(2)14(9)13(19)7-18-6-5-17-8-18/h5-6,8,13,19H,7H2,1-4H3
InChIKey
VLWKZDMPYTZGCU-UHFFFAOYSA-N
Compound name
1-(4-chloro-2,3,5,6-tetramethylphenyl)-2-imidazol-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

278.1186 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12588 164.1
[M+Na]+ 301.10782 174.8
[M-H]- 277.11132 167.7
[M+NH4]+ 296.15242 180.5
[M+K]+ 317.08176 169.0
[M+H-H2O]+ 261.11586 157.1
[M+HCOO]- 323.11680 179.3
[M+CH3COO]- 337.13245 200.1
[M+Na-2H]- 299.09327 163.3
[M]+ 278.11805 168.2
[M]- 278.11915 168.2
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