CID 465345

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

Structural Information

Molecular Formula

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

1
Annotation Hits: 2
References: 6
Patents: 486.1184 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

Patent stripe