CID 3047816

Parodilol

Structural Information

Molecular Formula
C23H27N3O2
SMILES
CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC4=C3C=CN4)O
InChI
InChI=1S/C23H27N3O2/c1-23(2,12-16-13-25-20-7-4-3-6-18(16)20)26-14-17(27)15-28-22-9-5-8-21-19(22)10-11-24-21/h3-11,13,17,24-27H,12,14-15H2,1-2H3
InChIKey
RJZLPXDYXSPJSS-UHFFFAOYSA-N
Compound name
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(1H-indol-4-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

377.21033 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 190.4
[M+Na]+ 400.19955 196.6
[M-H]- 376.20305 193.3
[M+NH4]+ 395.24415 202.9
[M+K]+ 416.17349 189.6
[M+H-H2O]+ 360.20759 182.6
[M+HCOO]- 422.20853 207.3
[M+CH3COO]- 436.22418 198.9
[M+Na-2H]- 398.18500 194.2
[M]+ 377.20978 192.2
[M]- 377.21088 192.2
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.