CID 6914425

114427-37-1

Structural Information

Molecular Formula
C14H17ClN2O5S
SMILES
CC(C)(C)C(=O)N1CC/C(=N/OS(=O)(=O)O)/C2=C1C(=CC=C2)Cl
InChI
InChI=1S/C14H17ClN2O5S/c1-14(2,3)13(18)17-8-7-11(16-22-23(19,20)21)9-5-4-6-10(15)12(9)17/h4-6H,7-8H2,1-3H3,(H,19,20,21)/b16-11-
InChIKey
CODFJTPVWRVUCH-WJDWOHSUSA-N
Compound name
[(Z)-[8-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 177.0
[M+Na]+ 383.04388 184.7
[M-H]- 359.04738 180.2
[M+NH4]+ 378.08848 190.7
[M+K]+ 399.01782 181.1
[M+H-H2O]+ 343.05192 171.8
[M+HCOO]- 405.05286 184.5
[M+CH3COO]- 419.06851 210.1
[M+Na-2H]- 381.02933 181.3
[M]+ 360.05411 182.5
[M]- 360.05521 182.5
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.