CID 3047266

Lu 24943

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CC1=NOC2=C1C(=CC=C2)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C15H22N2O3/c1-10-14-12(6-5-7-13(14)20-17-10)19-9-11(18)8-16-15(2,3)4/h5-7,11,16,18H,8-9H2,1-4H3
InChIKey
NVWNNIWVMQEWIX-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[(3-methyl-1,2-benzoxazol-4-yl)oxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

278.16306 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 166.5
[M+Na]+ 301.15228 174.2
[M-H]- 277.15578 169.5
[M+NH4]+ 296.19688 182.4
[M+K]+ 317.12622 172.6
[M+H-H2O]+ 261.16032 160.0
[M+HCOO]- 323.16126 186.5
[M+CH3COO]- 337.17691 200.6
[M+Na-2H]- 299.13773 172.2
[M]+ 278.16251 172.0
[M]- 278.16361 172.0
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