CID 13375575

94749-02-7

Structural Information

Molecular Formula
C23H33NO4
SMILES
C1=CC=C(C=C1)CCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O
InChI
InChI=1S/C23H33NO4/c25-18-21-16-20(10-11-22(21)26)23(27)17-24-13-6-1-2-7-14-28-15-12-19-8-4-3-5-9-19/h3-5,8-11,16,23-27H,1-2,6-7,12-15,17-18H2
InChIKey
SFLNGSUKAXWYTL-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(2-phenylethoxy)hexylamino]ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

387.24097 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.24825 196.5
[M+Na]+ 410.23019 197.9
[M-H]- 386.23369 197.4
[M+NH4]+ 405.27479 205.1
[M+K]+ 426.20413 192.5
[M+H-H2O]+ 370.23823 187.2
[M+HCOO]- 432.23917 214.0
[M+CH3COO]- 446.25482 218.0
[M+Na-2H]- 408.21564 196.3
[M]+ 387.24042 198.1
[M]- 387.24152 198.1
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