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]+ 295.147476 168.2
[M+Na]+ 317.129418 174.5
[M-H]- 293.132924 169.9
[M+NH4]+ 312.174023 184.9
[M+K]+ 333.103358 170.7
[M+H-H2O]+ 277.137460 161.2
[M+HCOO]- 339.138401 184.3
[M+CH3COO]- 353.154051 201.9
[M+Na-2H]- 315.114866 169.3
[M]+ 294.13965142 173.6
[M]- 294.14074858 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.