CID 3062379

3-((bis(1-methylethyl)amino)methyl)benzo(c)thiophen-1(3h)-one hydrochloride

Structural Information

Molecular Formula
C15H21NOS
SMILES
CC(C)N(CC1C2=CC=CC=C2C(=O)S1)C(C)C
InChI
InChI=1S/C15H21NOS/c1-10(2)16(11(3)4)9-14-12-7-5-6-8-13(12)15(17)18-14/h5-8,10-11,14H,9H2,1-4H3
InChIKey
ZNRHMHCSSPSAMJ-UHFFFAOYSA-N
Compound name
3-[[di(propan-2-yl)amino]methyl]-3H-2-benzothiophen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1344 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14168 161.8
[M+Na]+ 286.12362 171.4
[M+NH4]+ 281.16822 170.9
[M+K]+ 302.09756 165.2
[M-H]- 262.12712 164.7
[M+Na-2H]- 284.10907 165.4
[M]+ 263.13385 164.4
[M]- 263.13495 164.4
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.