CID 475452

2-(2,6-dichlorophenyl)-2-[(1-oxidoquinolin-1-ium-8-yl)amino]acetamide

Structural Information

Molecular Formula
C17H13Cl2N3O2
SMILES
C1=CC2=C(C(=C1)NC(C3=C(C=CC=C3Cl)Cl)C(=O)N)[N+](=CC=C2)[O-]
InChI
InChI=1S/C17H13Cl2N3O2/c18-11-6-2-7-12(19)14(11)15(17(20)23)21-13-8-1-4-10-5-3-9-22(24)16(10)13/h1-9,15,21H,(H2,20,23)
InChIKey
XAWCDXVZLFVIHM-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-2-[(1-oxidoquinolin-1-ium-8-yl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.03848 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.04576 179.2
[M+Na]+ 384.02770 186.2
[M-H]- 360.03120 182.4
[M+NH4]+ 379.07230 190.5
[M+K]+ 400.00164 174.7
[M+H-H2O]+ 344.03574 176.6
[M+HCOO]- 406.03668 190.0
[M+CH3COO]- 420.05233 207.8
[M+Na-2H]- 382.01315 183.6
[M]+ 361.03793 178.7
[M]- 361.03903 178.7
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.