CID 3059423

1-((2-(4-methoxyphenyl)-1-phenyl-1h-indol-4-yl)oxy)-3-(isopropylamino)-2-propanol hcl

Structural Information

Molecular Formula
C27H30N2O3
SMILES
CC(C)NCC(COC1=CC=CC2=C1C=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)OC)O
InChI
InChI=1S/C27H30N2O3/c1-19(2)28-17-22(30)18-32-27-11-7-10-25-24(27)16-26(20-12-14-23(31-3)15-13-20)29(25)21-8-5-4-6-9-21/h4-16,19,22,28,30H,17-18H2,1-3H3
InChIKey
UCFJOXZMTTVUMY-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxyphenyl)-1-phenylindol-4-yl]oxy-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.22565 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.23293 206.9
[M+Na]+ 453.21487 212.1
[M-H]- 429.21837 214.9
[M+NH4]+ 448.25947 216.5
[M+K]+ 469.18881 206.5
[M+H-H2O]+ 413.22291 196.3
[M+HCOO]- 475.22385 226.5
[M+CH3COO]- 489.23950 231.4
[M+Na-2H]- 451.20032 206.7
[M]+ 430.22510 211.0
[M]- 430.22620 211.0
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.