CID 3069904

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

Structural Information

Molecular Formula
C14H23NO2S
SMILES
CC(C)NCC(COC1=CSC2=C1CCCC2)O
InChI
InChI=1S/C14H23NO2S/c1-10(2)15-7-11(16)8-17-13-9-18-14-6-4-3-5-12(13)14/h9-11,15-16H,3-8H2,1-2H3
InChIKey
ZUNIVEZIVMHVBT-UHFFFAOYSA-N
Compound name
1-(propan-2-ylamino)-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

269.14496 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.15224 163.4
[M+Na]+ 292.13418 167.0
[M-H]- 268.13768 165.4
[M+NH4]+ 287.17878 182.1
[M+K]+ 308.10812 164.2
[M+H-H2O]+ 252.14222 157.7
[M+HCOO]- 314.14316 176.7
[M+CH3COO]- 328.15881 197.4
[M+Na-2H]- 290.11963 162.3
[M]+ 269.14441 163.8
[M]- 269.14551 163.8
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.