CID 198506

67160-74-1

Structural Information

Molecular Formula
C23H31NO4
SMILES
CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)OC(=O)C(C)(C)C)O
InChI
InChI=1S/C23H31NO4/c1-16(15-27-19-9-7-6-8-10-19)24-17(2)21(25)18-11-13-20(14-12-18)28-22(26)23(3,4)5/h6-14,16-17,21,24-25H,15H2,1-5H3
InChIKey
QAYOFBVPJIPEAO-UHFFFAOYSA-N
Compound name
[4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenyl] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

385.2253 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.23258 195.3
[M+Na]+ 408.21452 204.3
[M+NH4]+ 403.25912 200.3
[M+K]+ 424.18846 200.1
[M-H]- 384.21802 197.2
[M+Na-2H]- 406.19997 200.3
[M]+ 385.22475 196.9
[M]- 385.22585 196.9
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

patents stripe