CID 3006718

Quinoline, 2-(2,3-dihydro-2-benzothiazolyl)-

Structural Information

Molecular Formula
C16H12N2S
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C3NC4=CC=CC=C4S3
InChI
InChI=1S/C16H12N2S/c1-2-6-12-11(5-1)9-10-14(17-12)16-18-13-7-3-4-8-15(13)19-16/h1-10,16,18H
InChIKey
PSFOVFNUTYBHCU-UHFFFAOYSA-N
Compound name
2-quinolin-2-yl-2,3-dihydro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.0721 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07938 156.1
[M+Na]+ 287.06132 166.1
[M-H]- 263.06482 161.0
[M+NH4]+ 282.10592 173.9
[M+K]+ 303.03526 159.0
[M+H-H2O]+ 247.06936 148.7
[M+HCOO]- 309.07030 170.2
[M+CH3COO]- 323.08595 167.8
[M+Na-2H]- 285.04677 160.9
[M]+ 264.07155 155.6
[M]- 264.07265 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.