CID 11971038

Brn 4549966

Structural Information

Molecular Formula
C22H26N2O3
SMILES
CC1=C(NC2=CC=CC=C12)C3=CC=C(C=C3)OCC(CN4CCOCC4)O
InChI
InChI=1S/C22H26N2O3/c1-16-20-4-2-3-5-21(20)23-22(16)17-6-8-19(9-7-17)27-15-18(25)14-24-10-12-26-13-11-24/h2-9,18,23,25H,10-15H2,1H3
InChIKey
UFLFWAVJSQOWDG-UHFFFAOYSA-N
Compound name
1-[4-(3-methyl-1H-indol-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.19434 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 188.0
[M+Na]+ 389.18356 192.8
[M-H]- 365.18706 193.3
[M+NH4]+ 384.22816 197.0
[M+K]+ 405.15750 187.7
[M+H-H2O]+ 349.19160 177.9
[M+HCOO]- 411.19254 201.4
[M+CH3COO]- 425.20819 196.1
[M+Na-2H]- 387.16901 188.6
[M]+ 366.19379 186.5
[M]- 366.19489 186.5
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.