CID 24842062

Brn 4570263

Structural Information

Molecular Formula
C24H31N3O3
SMILES
CC1=C(NC2=CC=CC=C12)C3=CC=C(C=C3)OCC(CN4CCN(CC4)CCO)O
InChI
InChI=1S/C24H31N3O3/c1-18-22-4-2-3-5-23(22)25-24(18)19-6-8-21(9-7-19)30-17-20(29)16-27-12-10-26(11-13-27)14-15-28/h2-9,20,25,28-29H,10-17H2,1H3
InChIKey
SYVQCNSQFAVLHN-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(3-methyl-1H-indol-2-yl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.23654 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.243816 200.5
[M+Na]+ 432.225758 204.5
[M-H]- 408.229264 202.6
[M+NH4]+ 427.270363 207.2
[M+K]+ 448.199698 197.2
[M+H-H2O]+ 392.233800 189.6
[M+HCOO]- 454.234741 211.3
[M+CH3COO]- 468.250391 206.5
[M+Na-2H]- 430.211206 198.8
[M]+ 409.23599142 198.2
[M]- 409.23708858 198.2
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.