CID 9651752

N-(4-((2-(5-br-2-meo-benzylidene)hydrazino)carbonyl)ph)-4-cl-benzenesulfonamide

Structural Information

Molecular Formula
C21H17BrClN3O4S
SMILES
COC1=C(C=C(C=C1)Br)/C=N/NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H17BrClN3O4S/c1-30-20-11-4-16(22)12-15(20)13-24-25-21(27)14-2-7-18(8-3-14)26-31(28,29)19-9-5-17(23)6-10-19/h2-13,26H,1H3,(H,25,27)/b24-13+
InChIKey
IZJPTICMVPIVFR-ZMOGYAJESA-N
Compound name
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.98114 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.98842 200.3
[M+Na]+ 543.97036 210.0
[M-H]- 519.97386 213.1
[M+NH4]+ 539.01496 211.0
[M+K]+ 559.94430 195.7
[M+H-H2O]+ 503.97840 196.7
[M+HCOO]- 565.97934 214.8
[M+CH3COO]- 579.99499 239.9
[M+Na-2H]- 541.95581 205.5
[M]+ 520.98059 224.2
[M]- 520.98169 224.2
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.