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

2665
Patents

344.19876 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20604 184.7
[M+Na]+ 367.18798 188.6
[M-H]- 343.19148 188.0
[M+NH4]+ 362.23258 196.4
[M+K]+ 383.16192 185.5
[M+H-H2O]+ 327.19602 177.0
[M+HCOO]- 389.19696 200.8
[M+CH3COO]- 403.21261 210.6
[M+Na-2H]- 365.17343 185.2
[M]+ 344.19821 187.2
[M]- 344.19931 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