CID 9627181

N(4((2-(4-((4-me-benzyl)oxy)benzylidene)hydrazino)carbonyl)ph)benzenesulfonamide

Structural Information

Molecular Formula
C28H25N3O4S
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H25N3O4S/c1-21-7-9-23(10-8-21)20-35-26-17-11-22(12-18-26)19-29-30-28(32)24-13-15-25(16-14-24)31-36(33,34)27-5-3-2-4-6-27/h2-19,31H,20H2,1H3,(H,30,32)/b29-19+
InChIKey
KONUNVIYFCVEKZ-VUTHCHCSSA-N
Compound name
4-(benzenesulfonamido)-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.1566 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.16388 219.5
[M+Na]+ 522.14582 223.4
[M-H]- 498.14932 232.2
[M+NH4]+ 517.19042 225.0
[M+K]+ 538.11976 217.1
[M+H-H2O]+ 482.15386 207.2
[M+HCOO]- 544.15480 239.6
[M+CH3COO]- 558.17045 245.5
[M+Na-2H]- 520.13127 223.6
[M]+ 499.15605 222.1
[M]- 499.15715 222.1
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.