CID 3021222

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

Structural Information

Molecular Formula
C21H27NO4
SMILES
CCC(=O)OC1=CC=C(C=C1)C(C(C)NC(C)COC2=CC=CC=C2)O
InChI
InChI=1S/C21H27NO4/c1-4-20(23)26-19-12-10-17(11-13-19)21(24)16(3)22-15(2)14-25-18-8-6-5-7-9-18/h5-13,15-16,21-22,24H,4,14H2,1-3H3
InChIKey
OHNGFXVRFSKHRK-UHFFFAOYSA-N
Compound name
[4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.194 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.20128 187.8
[M+Na]+ 380.18322 197.5
[M+NH4]+ 375.22782 193.3
[M+K]+ 396.15716 192.4
[M-H]- 356.18672 190.3
[M+Na-2H]- 378.16867 193.2
[M]+ 357.19345 189.6
[M]- 357.19455 189.6
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.