CID 45055109

N-(4-((2-(3-(allyloxy)benzylidene)hydrazino)carbonyl)ph)-4-cl-benzenesulfonamide

Structural Information

Molecular Formula
C23H20ClN3O4S
SMILES
C=CCOC1=CC=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H20ClN3O4S/c1-2-14-31-21-5-3-4-17(15-21)16-25-26-23(28)18-6-10-20(11-7-18)27-32(29,30)22-12-8-19(24)9-13-22/h2-13,15-16,27H,1,14H2,(H,26,28)/b25-16+
InChIKey
NIICLSTUJJTCRR-PCLIKHOPSA-N
Compound name
4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.0863 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.09358 209.3
[M+Na]+ 492.07552 221.7
[M+NH4]+ 487.12012 214.8
[M+K]+ 508.04946 211.7
[M-H]- 468.07902 215.3
[M+Na-2H]- 490.06097 218.7
[M]+ 469.08575 213.4
[M]- 469.08685 213.4
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.