CID 3069908

1-((1,1-dimethylethyl)amino)-3-((4,5,6,7-tetrahydrobenzo(b)thien-3-yl)oxy)-2-propanol hcl

Structural Information

Molecular Formula
C15H25NO2S
SMILES
CC(C)(C)NCC(COC1=CSC2=C1CCCC2)O
InChI
InChI=1S/C15H25NO2S/c1-15(2,3)16-8-11(17)9-18-13-10-19-14-7-5-4-6-12(13)14/h10-11,16-17H,4-9H2,1-3H3
InChIKey
SUWQSIPBRNYJQG-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1606 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16788 167.0
[M+Na]+ 306.14982 174.0
[M+NH4]+ 301.19442 175.0
[M+K]+ 322.12376 168.7
[M-H]- 282.15332 168.0
[M+Na-2H]- 304.13527 169.0
[M]+ 283.16005 168.5
[M]- 283.16115 168.5
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.