CID 657621

145296-53-3

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC1=CNC2=C1C(=CC=C2)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C16H24N2O2/c1-11-8-17-13-6-5-7-14(15(11)13)20-10-12(19)9-18-16(2,3)4/h5-8,12,17-19H,9-10H2,1-4H3
InChIKey
XAIVBZMKIMCTMO-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[(3-methyl-1H-indol-4-yl)oxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

276.18378 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 166.4
[M+Na]+ 299.17300 176.3
[M+NH4]+ 294.21760 173.0
[M+K]+ 315.14694 172.9
[M-H]- 275.17650 166.6
[M+Na-2H]- 297.15845 170.1
[M]+ 276.18323 167.7
[M]- 276.18433 167.7
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