CID 51060390

4-chloro-n-(4-((2-(4-(dimethylamino)benzylidene)hydrazino)carbonyl)phenyl)benzenesulfonamide

Structural Information

Molecular Formula
C22H21ClN4O3S
SMILES
CN(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H21ClN4O3S/c1-27(2)20-11-3-16(4-12-20)15-24-25-22(28)17-5-9-19(10-6-17)26-31(29,30)21-13-7-18(23)8-14-21/h3-15,26H,1-2H3,(H,25,28)/b24-15+
InChIKey
QFOVNRMPWXUWMN-BUVRLJJBSA-N
Compound name
4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.1023 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.10958 207.3
[M+Na]+ 479.09152 212.9
[M-H]- 455.09502 219.2
[M+NH4]+ 474.13612 216.7
[M+K]+ 495.06546 207.2
[M+H-H2O]+ 439.09956 197.4
[M+HCOO]- 501.10050 225.1
[M+CH3COO]- 515.11615 241.4
[M+Na-2H]- 477.07697 210.9
[M]+ 456.10175 212.6
[M]- 456.10285 212.6
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.