CID 3059641

Lu 24521

Structural Information

Molecular Formula
C16H24N2O2S
SMILES
CCC(C)(CC)NCC(COC1=C2C=NSC2=CC=C1)O
InChI
InChI=1S/C16H24N2O2S/c1-4-16(3,5-2)17-9-12(19)11-20-14-7-6-8-15-13(14)10-18-21-15/h6-8,10,12,17,19H,4-5,9,11H2,1-3H3
InChIKey
ZTNZWNVGSCEYEV-UHFFFAOYSA-N
Compound name
1-(1,2-benzothiazol-4-yloxy)-3-(3-methylpentan-3-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15585 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16313 173.8
[M+Na]+ 331.14507 180.4
[M-H]- 307.14857 175.6
[M+NH4]+ 326.18967 190.1
[M+K]+ 347.11901 176.3
[M+H-H2O]+ 291.15311 167.2
[M+HCOO]- 353.15405 189.1
[M+CH3COO]- 367.16970 204.4
[M+Na-2H]- 329.13052 176.5
[M]+ 308.15530 179.7
[M]- 308.15640 179.7
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.