CID 121911

Y-20811

Structural Information

Molecular Formula
C20H20N2O3
SMILES
CC1=C(C=C(C=C1)N2C=CN=C2)C(C3=C(C=C(C=C3C)C(=O)O)C)O
InChI
InChI=1S/C20H20N2O3/c1-12-4-5-16(22-7-6-21-11-22)10-17(12)19(23)18-13(2)8-15(20(24)25)9-14(18)3/h4-11,19,23H,1-3H3,(H,24,25)
InChIKey
QSAHHFJAWATNBG-UHFFFAOYSA-N
Compound name
4-[hydroxy-(5-imidazol-1-yl-2-methylphenyl)methyl]-3,5-dimethylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

81
Patents

336.1474 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15468 181.5
[M+Na]+ 359.13662 195.3
[M+NH4]+ 354.18122 187.4
[M+K]+ 375.11056 191.4
[M-H]- 335.14012 184.9
[M+Na-2H]- 357.12207 188.4
[M]+ 336.14685 184.3
[M]- 336.14795 184.3
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