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]+ 358.201276 188.4
[M+Na]+ 380.183218 190.2
[M-H]- 356.186724 192.5
[M+NH4]+ 375.227823 199.2
[M+K]+ 396.157158 188.0
[M+H-H2O]+ 340.191260 179.4
[M+HCOO]- 402.192201 206.8
[M+CH3COO]- 416.207851 216.8
[M+Na-2H]- 378.168666 187.1
[M]+ 357.19345142 190.1
[M]- 357.19454858 190.1
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.