CID 129896798

1-((1,1-dimethylethyl)((4-methylphenyl)methyl)amino)-3-(1h-indol-4-yloxy)-2-propanol

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CC1=CC=C(C=C1)CN(CC(COC2=CC=CC3=C2C=CN3)O)C(C)(C)C
InChI
InChI=1S/C23H30N2O2/c1-17-8-10-18(11-9-17)14-25(23(2,3)4)15-19(26)16-27-22-7-5-6-21-20(22)12-13-24-21/h5-13,19,24,26H,14-16H2,1-4H3
InChIKey
BNRANURXPKRRKP-UHFFFAOYSA-N
Compound name
1-[tert-butyl-[(4-methylphenyl)methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

74
Patents

366.23074 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.238016 192.6
[M+Na]+ 389.219958 197.5
[M-H]- 365.223464 197.4
[M+NH4]+ 384.264563 205.5
[M+K]+ 405.193898 192.8
[M+H-H2O]+ 349.228000 184.2
[M+HCOO]- 411.228941 210.9
[M+CH3COO]- 425.244591 218.9
[M+Na-2H]- 387.205406 194.6
[M]+ 366.23019142 195.6
[M]- 366.23128858 195.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe