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 195.2
[M-H]- 376.16850 197.1
[M+NH4]+ 395.20960 203.4
[M+K]+ 416.13894 191.8
[M+H-H2O]+ 360.17304 183.3
[M+HCOO]- 422.17398 206.5
[M+CH3COO]- 436.18963 223.2
[M+Na-2H]- 398.15045 189.4
[M]+ 377.17523 197.1
[M]- 377.17633 197.1
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

No patent data available for this compound.