CID 148785

56980-94-0

Structural Information

Molecular Formula
C15H24N2O3
SMILES
CC(=O)C1=C(C=CC(=C1)N)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C15H24N2O3/c1-10(18)13-7-11(16)5-6-14(13)20-9-12(19)8-17-15(2,3)4/h5-7,12,17,19H,8-9,16H2,1-4H3
InChIKey
NDSFAFIRRXLJNE-UHFFFAOYSA-N
Compound name
1-[5-amino-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

280.17868 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.18596 168.2
[M+Na]+ 303.16790 172.8
[M-H]- 279.17140 169.8
[M+NH4]+ 298.21250 182.9
[M+K]+ 319.14184 170.9
[M+H-H2O]+ 263.17594 161.7
[M+HCOO]- 325.17688 187.9
[M+CH3COO]- 339.19253 205.5
[M+Na-2H]- 301.15335 169.3
[M]+ 280.17813 168.4
[M]- 280.17923 168.4
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