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

6
Patents

368.21 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.217276 190.1
[M+Na]+ 391.199218 194.4
[M-H]- 367.202724 192.4
[M+NH4]+ 386.243823 201.4
[M+K]+ 407.173158 189.1
[M+H-H2O]+ 351.207260 182.4
[M+HCOO]- 413.208201 205.9
[M+CH3COO]- 427.223851 213.6
[M+Na-2H]- 389.184666 192.1
[M]+ 368.20945142 190.5
[M]- 368.21054858 190.5
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.