CID 41907

Terbufibrol

Structural Information

Molecular Formula
C20H24O5
SMILES
CC(C)(C)C1=CC=C(C=C1)OCC(COC2=CC=C(C=C2)C(=O)O)O
InChI
InChI=1S/C20H24O5/c1-20(2,3)15-6-10-18(11-7-15)25-13-16(21)12-24-17-8-4-14(5-9-17)19(22)23/h4-11,16,21H,12-13H2,1-3H3,(H,22,23)
InChIKey
PXODZCMXOZRVEN-UHFFFAOYSA-N
Compound name
4-[3-(4-tert-butylphenoxy)-2-hydroxypropoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

344.16238 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16966 182.0
[M+Na]+ 367.15160 186.5
[M-H]- 343.15510 185.6
[M+NH4]+ 362.19620 193.5
[M+K]+ 383.12554 183.8
[M+H-H2O]+ 327.15964 174.3
[M+HCOO]- 389.16058 198.9
[M+CH3COO]- 403.17623 208.3
[M+Na-2H]- 365.13705 183.2
[M]+ 344.16183 184.9
[M]- 344.16293 184.9
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