CID 24835534

2-chloro-6-methyl-7h-(1)benzothiopyrano(3,2-c)quinolin-7-one

Structural Information

Molecular Formula
C17H10ClNOS
SMILES
CC1=C2C(=C3C=C(C=CC3=N1)Cl)SC4=CC=CC=C4C2=O
InChI
InChI=1S/C17H10ClNOS/c1-9-15-16(20)11-4-2-3-5-14(11)21-17(15)12-8-10(18)6-7-13(12)19-9/h2-8H,1H3
InChIKey
RBWFSWMJLFFTON-UHFFFAOYSA-N
Compound name
2-chloro-6-methylthiochromeno[3,2-c]quinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.01715 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.02443 163.7
[M+Na]+ 334.00637 178.4
[M-H]- 310.00987 170.0
[M+NH4]+ 329.05097 182.5
[M+K]+ 349.98031 170.5
[M+H-H2O]+ 294.01441 157.1
[M+HCOO]- 356.01535 175.9
[M+CH3COO]- 370.03100 176.9
[M+Na-2H]- 331.99182 171.6
[M]+ 311.01660 171.8
[M]- 311.01770 171.8
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.