CID 6914424

114427-32-6

Structural Information

Molecular Formula
C14H17ClN2O5S
SMILES
CC(C)(C)C(=O)N1CC/C(=N/OS(=O)(=O)O)/C2=C1C=CC=C2Cl
InChI
InChI=1S/C14H17ClN2O5S/c1-14(2,3)13(18)17-8-7-10(16-22-23(19,20)21)12-9(15)5-4-6-11(12)17/h4-6H,7-8H2,1-3H3,(H,19,20,21)/b16-10-
InChIKey
ZUNXFMINBQENAU-YBEGLDIGSA-N
Compound name
[(Z)-[5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.05466 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.06194 178.6
[M+Na]+ 383.04388 188.0
[M+NH4]+ 378.08848 183.7
[M+K]+ 399.01782 182.7
[M-H]- 359.04738 177.3
[M+Na-2H]- 381.02933 181.0
[M]+ 360.05411 180.1
[M]- 360.05521 180.1
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.