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 196.0
[M+Na]+ 408.21452 197.4
[M-H]- 384.21802 200.1
[M+NH4]+ 403.25912 205.9
[M+K]+ 424.18846 195.5
[M+H-H2O]+ 368.22256 187.5
[M+HCOO]- 430.22350 212.2
[M+CH3COO]- 444.23915 222.5
[M+Na-2H]- 406.19997 194.8
[M]+ 385.22475 197.9
[M]- 385.22585 197.9
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