CID 5006262

2-[(4-chlorophenyl)sulfonylamino]-n-[(4-methoxyphenyl)methylideneamino]benzamide

Structural Information

Molecular Formula
C21H18ClN3O4S
SMILES
COC1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H18ClN3O4S/c1-29-17-10-6-15(7-11-17)14-23-24-21(26)19-4-2-3-5-20(19)25-30(27,28)18-12-8-16(22)9-13-18/h2-14,25H,1H3,(H,24,26)
InChIKey
CDCMPALHBXPBSM-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.07065 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.07793 202.0
[M+Na]+ 466.05987 208.7
[M-H]- 442.06337 212.9
[M+NH4]+ 461.10447 211.7
[M+K]+ 482.03381 202.4
[M+H-H2O]+ 426.06791 192.7
[M+HCOO]- 488.06885 219.0
[M+CH3COO]- 502.08450 232.4
[M+Na-2H]- 464.04532 206.3
[M]+ 443.07010 207.8
[M]- 443.07120 207.8
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.