CID 3051856

Lu 25647

Structural Information

Molecular Formula
C15H22N2O2S
SMILES
CCCC(C)NCC(COC1=C2C=NSC2=CC=C1)O
InChI
InChI=1S/C15H22N2O2S/c1-3-5-11(2)16-8-12(18)10-19-14-6-4-7-15-13(14)9-17-20-15/h4,6-7,9,11-12,16,18H,3,5,8,10H2,1-2H3
InChIKey
RRHVXTSKLNWGNY-UHFFFAOYSA-N
Compound name
1-(1,2-benzothiazol-4-yloxy)-3-(pentan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1402 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14748 168.2
[M+Na]+ 317.12942 174.5
[M-H]- 293.13292 169.9
[M+NH4]+ 312.17402 184.9
[M+K]+ 333.10336 170.7
[M+H-H2O]+ 277.13746 161.2
[M+HCOO]- 339.13840 184.3
[M+CH3COO]- 353.15405 201.9
[M+Na-2H]- 315.11487 169.3
[M]+ 294.13965 173.6
[M]- 294.14075 173.6
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.