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 167.8
[M+Na]+ 299.17300 174.6
[M-H]- 275.17650 168.6
[M+NH4]+ 294.21760 184.4
[M+K]+ 315.14694 170.5
[M+H-H2O]+ 259.18104 161.5
[M+HCOO]- 321.18198 186.6
[M+CH3COO]- 335.19763 198.9
[M+Na-2H]- 297.15845 171.7
[M]+ 276.18323 169.7
[M]- 276.18433 169.7
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