CID 465345

N-(4-aminophenyl)-2-[[2-[(4-aminophenyl)carbamoyl]phenyl]disulfanyl]benzamide

Structural Information

Molecular Formula
C26H22N4O2S2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)N)SSC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)N
InChI
InChI=1S/C26H22N4O2S2/c27-17-9-13-19(14-10-17)29-25(31)21-5-1-3-7-23(21)33-34-24-8-4-2-6-22(24)26(32)30-20-15-11-18(28)12-16-20/h1-16H,27-28H2,(H,29,31)(H,30,32)
InChIKey
VOOUYXKCSUKROL-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)-2-[[2-[(4-aminophenyl)carbamoyl]phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

486.1184 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.12568 209.0
[M+Na]+ 509.10762 213.0
[M-H]- 485.11112 218.8
[M+NH4]+ 504.15222 214.4
[M+K]+ 525.08156 203.7
[M+H-H2O]+ 469.11566 198.5
[M+HCOO]- 531.11660 222.5
[M+CH3COO]- 545.13225 215.2
[M+Na-2H]- 507.09307 210.3
[M]+ 486.11785 207.1
[M]- 486.11895 207.1
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.