CID 209602

1-(sec-butylamino)-3-(thymyloxy)-2-propanol hydrochloride

Structural Information

Molecular Formula
C17H29NO2
SMILES
CCC(C)NCC(COC1=C(C=CC(=C1)C)C(C)C)O
InChI
InChI=1S/C17H29NO2/c1-6-14(5)18-10-15(19)11-20-17-9-13(4)7-8-16(17)12(2)3/h7-9,12,14-15,18-19H,6,10-11H2,1-5H3
InChIKey
MZXOIADSPHQLTH-UHFFFAOYSA-N
Compound name
1-(butan-2-ylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.21982 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.22710 172.1
[M+Na]+ 302.20904 175.8
[M-H]- 278.21254 173.7
[M+NH4]+ 297.25364 187.4
[M+K]+ 318.18298 173.7
[M+H-H2O]+ 262.21708 165.3
[M+HCOO]- 324.21802 190.9
[M+CH3COO]- 338.23367 206.7
[M+Na-2H]- 300.19449 170.6
[M]+ 279.21927 174.0
[M]- 279.22037 174.0
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

No patent data available for this compound.