CID 135572361

Methyl 4-hydroxy-2-sulfanylquinoline-3-carboxylate

Structural Information

Molecular Formula
C11H9NO3S
SMILES
COC(=O)C1=C(C2=CC=CC=C2NC1=S)O
InChI
InChI=1S/C11H9NO3S/c1-15-11(14)8-9(13)6-4-2-3-5-7(6)12-10(8)16/h2-5H,1H3,(H2,12,13,16)
InChIKey
AAJUDRCQRXQXDQ-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-2-sulfanylidene-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

235.03032 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.03760 146.6
[M+Na]+ 258.01954 156.6
[M-H]- 234.02304 147.9
[M+NH4]+ 253.06414 163.7
[M+K]+ 273.99348 151.6
[M+H-H2O]+ 218.02758 140.9
[M+HCOO]- 280.02852 160.9
[M+CH3COO]- 294.04417 184.5
[M+Na-2H]- 256.00499 150.2
[M]+ 235.02977 148.6
[M]- 235.03087 148.6
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.