CID 3021221

4-(1-hydroxy-2-((1-methyl-2-phenoxyethyl)amino)propyl)phenyl acetate

Structural Information

Molecular Formula
C20H25NO4
SMILES
CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)OC(=O)C)O
InChI
InChI=1S/C20H25NO4/c1-14(13-24-18-7-5-4-6-8-18)21-15(2)20(23)17-9-11-19(12-10-17)25-16(3)22/h4-12,14-15,20-21,23H,13H2,1-3H3
InChIKey
BBJGOONIQUTDMQ-UHFFFAOYSA-N
Compound name
[4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.17834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.185616 183.8
[M+Na]+ 366.167558 186.1
[M-H]- 342.171064 188.1
[M+NH4]+ 361.212163 195.2
[M+K]+ 382.141498 184.1
[M+H-H2O]+ 326.175600 175.1
[M+HCOO]- 388.176541 202.6
[M+CH3COO]- 402.192191 213.9
[M+Na-2H]- 364.153006 183.1
[M]+ 343.17779142 185.2
[M]- 343.17888858 185.2
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.