CID 6445662

3',4-di-(p-aminobenzensulfonammido)calcone [italian]

Structural Information

Molecular Formula
C27H24N4O5S2
SMILES
C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)C(=O)/C=C/C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C27H24N4O5S2/c28-21-7-13-25(14-8-21)37(33,34)30-23-11-4-19(5-12-23)6-17-27(32)20-2-1-3-24(18-20)31-38(35,36)26-15-9-22(29)10-16-26/h1-18,30-31H,28-29H2/b17-6+
InChIKey
OAJMMLBDDSSCED-UBKPWBPPSA-N
Compound name
4-amino-N-[4-[(E)-3-[3-[(4-aminophenyl)sulfonylamino]phenyl]-3-oxoprop-1-enyl]phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.11884 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.12612 225.4
[M+Na]+ 571.10806 228.8
[M-H]- 547.11156 234.7
[M+NH4]+ 566.15266 227.4
[M+K]+ 587.08200 220.6
[M+H-H2O]+ 531.11610 214.4
[M+HCOO]- 593.11704 237.5
[M+CH3COO]- 607.13269 252.1
[M+Na-2H]- 569.09351 230.3
[M]+ 548.11829 224.1
[M]- 548.11939 224.1
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.