CID 4414125

2-[4-butyl-5-(4-methylphenyl)-3-oxido-1h-imidazol-2-yl]phenol

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CCCCC1=C(N=C(N1O)C2=CC=CC=C2O)C3=CC=C(C=C3)C
InChI
InChI=1S/C20H22N2O2/c1-3-4-8-17-19(15-12-10-14(2)11-13-15)21-20(22(17)24)16-7-5-6-9-18(16)23/h5-7,9-13,23-24H,3-4,8H2,1-2H3
InChIKey
BCULOQBYEVSIRK-UHFFFAOYSA-N
Compound name
2-[5-butyl-1-hydroxy-4-(4-methylphenyl)imidazol-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.16812 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 178.4
[M+Na]+ 345.15734 187.1
[M-H]- 321.16084 183.8
[M+NH4]+ 340.20194 190.8
[M+K]+ 361.13128 180.5
[M+H-H2O]+ 305.16538 169.2
[M+HCOO]- 367.16632 197.6
[M+CH3COO]- 381.18197 206.0
[M+Na-2H]- 343.14279 178.4
[M]+ 322.16757 179.9
[M]- 322.16867 179.9
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.