CID 415981

Nsc74827

Structural Information

Molecular Formula
C24H22N4O4S
SMILES
C1=CC(=CC=C1OC2=C(C=C(C=C2)N)N)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)N)N
InChI
InChI=1S/C24H22N4O4S/c25-15-1-11-23(21(27)13-15)31-17-3-7-19(8-4-17)33(29,30)20-9-5-18(6-10-20)32-24-12-2-16(26)14-22(24)28/h1-14H,25-28H2
InChIKey
YKYWLSZVXSZZMO-UHFFFAOYSA-N
Compound name
4-[4-[4-(2,4-diaminophenoxy)phenyl]sulfonylphenoxy]benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.13617 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.14345 207.8
[M+Na]+ 485.12539 214.4
[M-H]- 461.12889 218.8
[M+NH4]+ 480.16999 213.8
[M+K]+ 501.09933 207.9
[M+H-H2O]+ 445.13343 196.8
[M+HCOO]- 507.13437 226.8
[M+CH3COO]- 521.15002 241.6
[M+Na-2H]- 483.11084 209.7
[M]+ 462.13562 206.7
[M]- 462.13672 206.7
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.