CID 3077196

133994-52-2

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CC(C)(C)NC[C@H](COC1=CC=CC=C1[C@@H](C2=C3C=CNC3=CC=C2)O)O
InChI
InChI=1S/C22H28N2O3/c1-22(2,3)24-13-15(25)14-27-20-10-5-4-7-18(20)21(26)17-8-6-9-19-16(17)11-12-23-19/h4-12,15,21,23-26H,13-14H2,1-3H3/t15-,21-/m1/s1
InChIKey
MWXVAVSBBFJYFJ-QVKFZJNVSA-N
Compound name
(2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

368.21 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 190.8
[M+Na]+ 391.19922 200.9
[M+NH4]+ 386.24382 196.5
[M+K]+ 407.17316 197.4
[M-H]- 367.20272 192.5
[M+Na-2H]- 389.18467 195.7
[M]+ 368.20945 192.5
[M]- 368.21055 192.5
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.