CID 9682706

477733-08-7

Structural Information

Molecular Formula
C23H16Cl2N4O3S
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)Cl)/C=N/NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H16Cl2N4O3S/c24-17-9-11-18(12-10-17)33(31,32)29-21-8-4-2-6-19(21)23(30)28-26-14-16-13-15-5-1-3-7-20(15)27-22(16)25/h1-14,29H,(H,28,30)/b26-14+
InChIKey
UCMOKOTYUXWHPS-VULFUBBASA-N
Compound name
2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.032 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.03928 211.7
[M+Na]+ 521.02122 220.0
[M-H]- 497.02472 221.5
[M+NH4]+ 516.06582 219.5
[M+K]+ 536.99516 212.1
[M+H-H2O]+ 481.02926 202.5
[M+HCOO]- 543.03020 221.3
[M+CH3COO]- 557.04585 219.8
[M+Na-2H]- 519.00667 217.4
[M]+ 498.03145 218.2
[M]- 498.03255 218.2
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.