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]+ 344.18562 183.8
[M+Na]+ 366.16756 186.1
[M-H]- 342.17106 188.1
[M+NH4]+ 361.21216 195.2
[M+K]+ 382.14150 184.1
[M+H-H2O]+ 326.17560 175.1
[M+HCOO]- 388.17654 202.6
[M+CH3COO]- 402.19219 213.9
[M+Na-2H]- 364.15301 183.1
[M]+ 343.17779 185.2
[M]- 343.17889 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.