CID 71955

Indenolol

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC(C)NCC(COC1=CC=CC2=C1C=CC2)O
InChI
InChI=1S/C15H21NO2/c1-11(2)16-9-13(17)10-18-15-8-4-6-12-5-3-7-14(12)15/h3-4,6-8,11,13,16-17H,5,9-10H2,1-2H3
InChIKey
MPGBPFMOOXKQRX-UHFFFAOYSA-N
Compound name
1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

41
References

6675
Patents

247.15723 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 158.8
[M+Na]+ 270.14645 168.3
[M+NH4]+ 265.19105 166.7
[M+K]+ 286.12039 164.1
[M-H]- 246.14995 160.5
[M+Na-2H]- 268.13190 162.8
[M]+ 247.15668 160.4
[M]- 247.15778 160.4
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