CID 380235

Nsc665712

Structural Information

Molecular Formula
C20H21N3O2S
SMILES
C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=CS4
InChI
InChI=1S/C20H21N3O2S/c24-18(19-8-4-14-26-19)7-3-11-22-12-9-15(10-13-22)23-17-6-2-1-5-16(17)21-20(23)25/h1-2,4-6,8-9,14H,3,7,10-13H2,(H,21,25)
InChIKey
GHHCMKKXQNVLTH-UHFFFAOYSA-N
Compound name
3-[1-(4-oxo-4-thiophen-2-ylbutyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.13544 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14272 185.1
[M+Na]+ 390.12466 198.0
[M+NH4]+ 385.16926 192.2
[M+K]+ 406.09860 192.2
[M-H]- 366.12816 188.8
[M+Na-2H]- 388.11011 191.5
[M]+ 367.13489 188.3
[M]- 367.13599 188.3
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.