CID 22352794

Schembl17911

Structural Information

Molecular Formula
C21H28O4
SMILES
CCC(O)OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC(CC)O
InChI
InChI=1S/C21H28O4/c1-5-19(22)24-17-11-7-15(8-12-17)21(3,4)16-9-13-18(14-10-16)25-20(23)6-2/h7-14,19-20,22-23H,5-6H2,1-4H3
InChIKey
SRFJEIMVZGBIMC-UHFFFAOYSA-N
Compound name
1-[4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2707
Patents

344.19876 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.206036 184.7
[M+Na]+ 367.187978 188.6
[M-H]- 343.191484 188.0
[M+NH4]+ 362.232583 196.4
[M+K]+ 383.161918 185.5
[M+H-H2O]+ 327.196020 177.0
[M+HCOO]- 389.196961 200.8
[M+CH3COO]- 403.212611 210.6
[M+Na-2H]- 365.173426 185.2
[M]+ 344.19821142 187.2
[M]- 344.19930858 187.2
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