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
3
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]+ 378.217606 190.4
[M+Na]+ 400.199548 196.6
[M-H]- 376.203054 193.3
[M+NH4]+ 395.244153 202.9
[M+K]+ 416.173488 189.6
[M+H-H2O]+ 360.207590 182.6
[M+HCOO]- 422.208531 207.3
[M+CH3COO]- 436.224181 198.9
[M+Na-2H]- 398.184996 194.2
[M]+ 377.20978142 192.2
[M]- 377.21087858 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

patents stripe