CID 46962280

1287491-91-1

Structural Information

Molecular Formula
C21H24N2O2S
SMILES
CC(=O)N1CCC2=C(C1C3=CC=CC=C3NC(=O)C4CCCC4)C=CS2
InChI
InChI=1S/C21H24N2O2S/c1-14(24)23-12-10-19-17(11-13-26-19)20(23)16-8-4-5-9-18(16)22-21(25)15-6-2-3-7-15/h4-5,8-9,11,13,15,20H,2-3,6-7,10,12H2,1H3,(H,22,25)
InChIKey
LCCXZGQNFJXWMT-UHFFFAOYSA-N
Compound name
N-[2-(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-4-yl)phenyl]cyclopentanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.15585 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.163126 189.2
[M+Na]+ 391.145068 193.6
[M-H]- 367.148574 198.1
[M+NH4]+ 386.189673 204.7
[M+K]+ 407.119008 188.8
[M+H-H2O]+ 351.153110 182.0
[M+HCOO]- 413.154051 202.1
[M+CH3COO]- 427.169701 198.3
[M+Na-2H]- 389.130516 184.0
[M]+ 368.15530142 187.1
[M]- 368.15639858 187.1
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.