CID 213423

O-(3-morpholino-2-hydroxypropoxy)phenyl o-tolyl ether hydrochloride

Structural Information

Molecular Formula
C20H25NO4
SMILES
CC1=CC=CC=C1OC2=CC=CC=C2OCC(CN3CCOCC3)O
InChI
InChI=1S/C20H25NO4/c1-16-6-2-3-7-18(16)25-20-9-5-4-8-19(20)24-15-17(22)14-21-10-12-23-13-11-21/h2-9,17,22H,10-15H2,1H3
InChIKey
ISUOMLTWZJSVDI-UHFFFAOYSA-N
Compound name
1-[2-(2-methylphenoxy)phenoxy]-3-morpholin-4-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.17834 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18562 182.6
[M+Na]+ 366.16756 185.5
[M-H]- 342.17106 188.8
[M+NH4]+ 361.21216 191.4
[M+K]+ 382.14150 183.1
[M+H-H2O]+ 326.17560 172.0
[M+HCOO]- 388.17654 197.8
[M+CH3COO]- 402.19219 208.6
[M+Na-2H]- 364.15301 184.5
[M]+ 343.17779 181.7
[M]- 343.17889 181.7
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.