CID 152662

23869-98-9

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)O
InChI
InChI=1S/C16H24N2O2/c1-11-8-13-14(18-11)6-5-7-15(13)20-10-12(19)9-17-16(2,3)4/h5-8,12,17-19H,9-10H2,1-4H3
InChIKey
BGQHPLYSXBZMQG-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

20
Patents

276.18378 Da
Monoisotopic Mass

2.5
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

literature stripe

Patent stripe

patents stripe