CID 206016

73932-55-5

Structural Information

Molecular Formula
C15H19BrN2O
SMILES
CC1=C(C(=C(C(=C1C(CN2C=CN=C2)O)C)C)Br)C
InChI
InChI=1S/C15H19BrN2O/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
YEBGGVIFUPJPGG-UHFFFAOYSA-N
Compound name
1-(4-bromo-2,3,5,6-tetramethylphenyl)-2-imidazol-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.06808 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07536 168.1
[M+Na]+ 345.05730 180.9
[M-H]- 321.06080 174.6
[M+NH4]+ 340.10190 185.8
[M+K]+ 361.03124 168.5
[M+H-H2O]+ 305.06534 166.9
[M+HCOO]- 367.06628 185.8
[M+CH3COO]- 381.08193 205.3
[M+Na-2H]- 343.04275 169.1
[M]+ 322.06753 188.8
[M]- 322.06863 188.8
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.