CID 154700006

[(z)-[7-chloro-1-[2-(hydroxymethyl)benzoyl]-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate

Structural Information

Molecular Formula
C17H15ClN2O6S
SMILES
C\1CN(C2=C(/C1=N\OS(=O)(=O)O)C=CC(=C2)Cl)C(=O)C3=CC=CC=C3CO
InChI
InChI=1S/C17H15ClN2O6S/c18-12-5-6-14-15(19-26-27(23,24)25)7-8-20(16(14)9-12)17(22)13-4-2-1-3-11(13)10-21/h1-6,9,21H,7-8,10H2,(H,23,24,25)/b19-15-
InChIKey
UWLKENAFCQWAPV-CYVLTUHYSA-N
Compound name
[(Z)-[7-chloro-1-[2-(hydroxymethyl)benzoyl]-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.03394 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.04122 186.6
[M+Na]+ 433.02316 194.1
[M-H]- 409.02666 191.5
[M+NH4]+ 428.06776 196.9
[M+K]+ 448.99710 189.0
[M+H-H2O]+ 393.03120 179.7
[M+HCOO]- 455.03214 194.8
[M+CH3COO]- 469.04779 216.9
[M+Na-2H]- 431.00861 190.3
[M]+ 410.03339 191.4
[M]- 410.03449 191.4
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.