CID 3059425

76410-41-8

Structural Information

Molecular Formula
C24H32N2O3
SMILES
CC(C)NCC(COC1=CC=CC2=C1C=C(N2C(C)C)C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C24H32N2O3/c1-16(2)25-14-19(27)15-29-24-8-6-7-22-21(24)13-23(26(22)17(3)4)18-9-11-20(28-5)12-10-18/h6-13,16-17,19,25,27H,14-15H2,1-5H3
InChIKey
URZMMJHWWNTEMD-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxyphenyl)-1-propan-2-ylindol-4-yl]oxy-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2413 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.248576 200.1
[M+Na]+ 419.230518 205.3
[M-H]- 395.234024 205.2
[M+NH4]+ 414.275123 211.9
[M+K]+ 435.204458 201.3
[M+H-H2O]+ 379.238560 191.2
[M+HCOO]- 441.239501 218.7
[M+CH3COO]- 455.255151 227.5
[M+Na-2H]- 417.215966 198.1
[M]+ 396.24075142 205.5
[M]- 396.24184858 205.5
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.