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 168.4
[M+Na]+ 306.14982 172.4
[M-H]- 282.15332 170.4
[M+NH4]+ 301.19442 186.8
[M+K]+ 322.12376 169.2
[M+H-H2O]+ 266.15786 163.1
[M+HCOO]- 328.15880 180.9
[M+CH3COO]- 342.17445 199.2
[M+Na-2H]- 304.13527 168.9
[M]+ 283.16005 169.2
[M]- 283.16115 169.2
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.