CID 6445664

Brn 2932881

Structural Information

Molecular Formula
C30H30N4O8S2
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2OC)OC)NS(=O)(=O)C3=CC=C(C=C3)N)NS(=O)(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C30H30N4O8S2/c1-40-28-15-5-19(16-25(28)33-43(36,37)22-10-6-20(31)7-11-22)4-14-27(35)24-17-26(30(42-3)18-29(24)41-2)34-44(38,39)23-12-8-21(32)9-13-23/h4-18,33-34H,31-32H2,1-3H3/b14-4+
InChIKey
OYRBAYOAVGVWJJ-LNKIKWGQSA-N
Compound name
4-amino-N-[5-[(E)-3-[5-[(4-aminophenyl)sulfonylamino]-2,4-dimethoxyphenyl]-3-oxoprop-1-enyl]-2-methoxyphenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

638.1505 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.15778 246.2
[M+Na]+ 661.13972 248.2
[M-H]- 637.14322 255.4
[M+NH4]+ 656.18432 244.4
[M+K]+ 677.11366 243.0
[M+H-H2O]+ 621.14776 233.9
[M+HCOO]- 683.14870 257.2
[M+CH3COO]- 697.16435 271.4
[M+Na-2H]- 659.12517 249.7
[M]+ 638.14995 250.5
[M]- 638.15105 250.5
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.