CID 213396

26321-25-5

Structural Information

Molecular Formula
C21H28ClNO3
SMILES
CC(C)N(CC(COC1=CC=CC=C1OC2=CC=C(C=C2)Cl)O)C(C)C
InChI
InChI=1S/C21H28ClNO3/c1-15(2)23(16(3)4)13-18(24)14-25-20-7-5-6-8-21(20)26-19-11-9-17(22)10-12-19/h5-12,15-16,18,24H,13-14H2,1-4H3
InChIKey
XJIGBMXNIJMQLI-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenoxy)phenoxy]-3-[di(propan-2-yl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.17578 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18306 191.2
[M+Na]+ 400.16500 203.1
[M+NH4]+ 395.20960 198.2
[M+K]+ 416.13894 196.5
[M-H]- 376.16850 195.1
[M+Na-2H]- 398.15045 197.6
[M]+ 377.17523 194.3
[M]- 377.17633 194.3
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

No patent data available for this compound.