CID 483664

N-[4-(4-chloronaphthyloxy)phenyl](2-{[(4-chlorophenyl)sulfonyl]amino}phenyl)carboxamide

Structural Information

Molecular Formula
C29H20Cl2N2O4S
SMILES
C1=CC=C2C(=C1)C(=CC=C2Cl)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4NS(=O)(=O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C29H20Cl2N2O4S/c30-19-9-15-22(16-10-19)38(35,36)33-27-8-4-3-7-25(27)29(34)32-20-11-13-21(14-12-20)37-28-18-17-26(31)23-5-1-2-6-24(23)28/h1-18,33H,(H,32,34)
InChIKey
KWTQJZITNHAKCU-UHFFFAOYSA-N
Compound name
N-[4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.05206 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.05934 227.1
[M+Na]+ 585.04128 234.6
[M-H]- 561.04478 239.4
[M+NH4]+ 580.08588 232.8
[M+K]+ 601.01522 227.1
[M+H-H2O]+ 545.04932 217.2
[M+HCOO]- 607.05026 234.8
[M+CH3COO]- 621.06591 234.1
[M+Na-2H]- 583.02673 230.9
[M]+ 562.05151 234.3
[M]- 562.05261 234.3
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.