CID 3021220

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

Structural Information

Molecular Formula
C22H29NO4
SMILES
CC(C)C(=O)OC1=CC=C(C=C1)C(C(C)NC(C)COC2=CC=CC=C2)O
InChI
InChI=1S/C22H29NO4/c1-15(2)22(25)27-20-12-10-18(11-13-20)21(24)17(4)23-16(3)14-26-19-8-6-5-7-9-19/h5-13,15-17,21,23-24H,14H2,1-4H3
InChIKey
WEFTUTGRTRPSQF-UHFFFAOYSA-N
Compound name
[4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenyl] 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.20966 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.21694 192.7
[M+Na]+ 394.19888 193.8
[M-H]- 370.20238 196.7
[M+NH4]+ 389.24348 202.9
[M+K]+ 410.17282 192.0
[M+H-H2O]+ 354.20692 183.8
[M+HCOO]- 416.20786 209.8
[M+CH3COO]- 430.22351 220.7
[M+Na-2H]- 392.18433 189.7
[M]+ 371.20911 194.2
[M]- 371.21021 194.2
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.