CID 251362

Nsc71687

Structural Information

Molecular Formula
C18H13NS
SMILES
CC1=CC2=C(C=C1)C=CC(=N2)C3=CC4=CC=CC=C4S3
InChI
InChI=1S/C18H13NS/c1-12-6-7-13-8-9-15(19-16(13)10-12)18-11-14-4-2-3-5-17(14)20-18/h2-11H,1H3
InChIKey
LJWCDXWCHFHIKY-UHFFFAOYSA-N
Compound name
2-(1-benzothiophen-2-yl)-7-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.07687 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08415 160.7
[M+Na]+ 298.06609 173.2
[M-H]- 274.06959 169.3
[M+NH4]+ 293.11069 180.7
[M+K]+ 314.04003 166.3
[M+H-H2O]+ 258.07413 153.7
[M+HCOO]- 320.07507 179.7
[M+CH3COO]- 334.09072 174.3
[M+Na-2H]- 296.05154 166.0
[M]+ 275.07632 165.3
[M]- 275.07742 165.3
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.