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 210.1
[M+Na]+ 492.07552 216.1
[M-H]- 468.07902 220.6
[M+NH4]+ 487.12012 218.6
[M+K]+ 508.04946 208.8
[M+H-H2O]+ 452.08356 200.4
[M+HCOO]- 514.08450 226.6
[M+CH3COO]- 528.10015 237.5
[M+Na-2H]- 490.06097 213.4
[M]+ 469.08575 215.8
[M]- 469.08685 215.8
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.