CID 6445663

Brn 2924679

Structural Information

Molecular Formula
C24H24N2O6S
SMILES
COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC)NS(=O)(=O)C3=CC=C(C=C3)N)OC
InChI
InChI=1S/C24H24N2O6S/c1-30-18-8-11-20(24(15-18)32-3)22(27)12-4-16-5-13-23(31-2)21(14-16)26-33(28,29)19-9-6-17(25)7-10-19/h4-15,26H,25H2,1-3H3/b12-4+
InChIKey
JHACEOKRQITFNU-UUILKARUSA-N
Compound name
4-amino-N-[5-[(E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.1355 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.14278 211.0
[M+Na]+ 491.12472 216.7
[M-H]- 467.12822 220.1
[M+NH4]+ 486.16932 218.1
[M+K]+ 507.09866 212.0
[M+H-H2O]+ 451.13276 200.5
[M+HCOO]- 513.13370 228.5
[M+CH3COO]- 527.14935 237.7
[M+Na-2H]- 489.11017 211.4
[M]+ 468.13495 216.8
[M]- 468.13605 216.8
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.