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]+ 397.24858 200.1
[M+Na]+ 419.23052 205.3
[M-H]- 395.23402 205.2
[M+NH4]+ 414.27512 211.9
[M+K]+ 435.20446 201.3
[M+H-H2O]+ 379.23856 191.2
[M+HCOO]- 441.23950 218.7
[M+CH3COO]- 455.25515 227.5
[M+Na-2H]- 417.21597 198.1
[M]+ 396.24075 205.5
[M]- 396.24185 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.