CID 9650989

2-methoxy-4-{(e)-[(4-{[(4-methylphenyl)sulfonyl]amino}benzoyl)hydrazono]methyl}phenyl (2e)-3-phenyl-2-propenoate

Structural Information

Molecular Formula
C31H27N3O6S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N/N=C/C3=CC(=C(C=C3)OC(=O)/C=C/C4=CC=CC=C4)OC
InChI
InChI=1S/C31H27N3O6S/c1-22-8-16-27(17-9-22)41(37,38)34-26-14-12-25(13-15-26)31(36)33-32-21-24-10-18-28(29(20-24)39-2)40-30(35)19-11-23-6-4-3-5-7-23/h3-21,34H,1-2H3,(H,33,36)/b19-11+,32-21+
InChIKey
JMNMLZVUXIJYFW-QELFZVMNSA-N
Compound name
[2-methoxy-4-[(E)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.16205 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.16933 237.1
[M+Na]+ 592.15127 239.8
[M-H]- 568.15477 249.6
[M+NH4]+ 587.19587 239.4
[M+K]+ 608.12521 234.6
[M+H-H2O]+ 552.15931 224.2
[M+HCOO]- 614.16025 255.7
[M+CH3COO]- 628.17590 258.1
[M+Na-2H]- 590.13672 238.9
[M]+ 569.16150 241.5
[M]- 569.16260 241.5
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.