CID 9571523

Nsc677624

Structural Information

Molecular Formula
C33H30Cl2N4O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C(=C/C2=CC=C(C=C2)Cl)/C/C(=C/C3=CC=C(C=C3)Cl)/C=N/NS(=O)(=O)C4=CC=C(C=C4)C
InChI
InChI=1S/C33H30Cl2N4O4S2/c1-24-3-15-32(16-4-24)44(40,41)38-36-22-28(19-26-7-11-30(34)12-8-26)21-29(20-27-9-13-31(35)14-10-27)23-37-39-45(42,43)33-17-5-25(2)6-18-33/h3-20,22-23,38-39H,21H2,1-2H3/b28-19-,29-20+,36-22+,37-23+
InChIKey
NZJFNEWJAONADX-LPQBZZJFSA-N
Compound name
N-[(E)-[(Z,2E)-5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-4-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]pent-4-enylidene]amino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

680.1086 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 681.11588 258.9
[M+Na]+ 703.09782 262.2
[M-H]- 679.10132 271.0
[M+NH4]+ 698.14242 259.6
[M+K]+ 719.07176 252.7
[M+H-H2O]+ 663.10586 248.5
[M+HCOO]- 725.10680 263.6
[M+CH3COO]- 739.12245 274.0
[M+Na-2H]- 701.08327 261.3
[M]+ 680.10805 265.7
[M]- 680.10915 265.7
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.