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]+ 277.191056 167.8
[M+Na]+ 299.172998 174.6
[M-H]- 275.176504 168.6
[M+NH4]+ 294.217603 184.4
[M+K]+ 315.146938 170.5
[M+H-H2O]+ 259.181040 161.5
[M+HCOO]- 321.181981 186.6
[M+CH3COO]- 335.197631 198.9
[M+Na-2H]- 297.158446 171.7
[M]+ 276.18323142 169.7
[M]- 276.18432858 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

No patent data available for this compound.