CID 211270

22820-20-8

Structural Information

Molecular Formula
C18H29ClN2O3
SMILES
CC(C)N(CCN1CCOCC1)CC(COC2=CC=CC=C2Cl)O
InChI
InChI=1S/C18H29ClN2O3/c1-15(2)21(8-7-20-9-11-23-12-10-20)13-16(22)14-24-18-6-4-3-5-17(18)19/h3-6,15-16,22H,7-14H2,1-2H3
InChIKey
VYOWHQISZXVJBO-UHFFFAOYSA-N
Compound name
1-(2-chlorophenoxy)-3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.18668 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19396 187.0
[M+Na]+ 379.17590 188.6
[M-H]- 355.17940 190.9
[M+NH4]+ 374.22050 196.9
[M+K]+ 395.14984 186.6
[M+H-H2O]+ 339.18394 178.1
[M+HCOO]- 401.18488 197.6
[M+CH3COO]- 415.20053 216.1
[M+Na-2H]- 377.16135 186.5
[M]+ 356.18613 188.7
[M]- 356.18723 188.7
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.