CID 3062388

3-((dipropylamino)methyl)benzo(c)thiophen-1(3h)-one ethanedioate (1:1)

Structural Information

Molecular Formula
C15H21NOS
SMILES
CCCN(CCC)CC1C2=CC=CC=C2C(=O)S1
InChI
InChI=1S/C15H21NOS/c1-3-9-16(10-4-2)11-14-12-7-5-6-8-13(12)15(17)18-14/h5-8,14H,3-4,9-11H2,1-2H3
InChIKey
OUHCIZPTWADHRX-UHFFFAOYSA-N
Compound name
3-[(dipropylamino)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

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14168 162.0
[M+Na]+ 286.12362 172.4
[M+NH4]+ 281.16822 171.3
[M+K]+ 302.09756 164.5
[M-H]- 262.12712 165.3
[M+Na-2H]- 284.10907 166.1
[M]+ 263.13385 164.8
[M]- 263.13495 164.8
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.