CID 33331

1,3-dihydro-n,n-diethyl-3,3-dimethyl-1-phenylbenzo(c)thiophene-1-propylamine hydrochloride

Structural Information

Molecular Formula
C23H31NS
SMILES
CCN(CC)CCCC1(C2=CC=CC=C2C(S1)(C)C)C3=CC=CC=C3
InChI
InChI=1S/C23H31NS/c1-5-24(6-2)18-12-17-23(19-13-8-7-9-14-19)21-16-11-10-15-20(21)22(3,4)25-23/h7-11,13-16H,5-6,12,17-18H2,1-4H3
InChIKey
LIKHFNSRQINADP-UHFFFAOYSA-N
Compound name
3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.2177 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.22498 186.6
[M+Na]+ 376.20692 193.2
[M-H]- 352.21042 194.8
[M+NH4]+ 371.25152 207.5
[M+K]+ 392.18086 188.0
[M+H-H2O]+ 336.21496 179.3
[M+HCOO]- 398.21590 203.7
[M+CH3COO]- 412.23155 219.8
[M+Na-2H]- 374.19237 187.8
[M]+ 353.21715 191.5
[M]- 353.21825 191.5
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.