CID 3009844

Benzenamine, n,n'-dithiobis[4-nitro-n-phenyl-

Structural Information

Molecular Formula
C24H18N4O4S2
SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)[N+](=O)[O-])SSN(C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C24H18N4O4S2/c29-27(30)23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)33-34-26(20-9-5-2-6-10-20)22-13-17-24(18-14-22)28(31)32/h1-18H
InChIKey
VHCHHAAJMZVDGD-UHFFFAOYSA-N
Compound name
4-nitro-N-[(N-(4-nitrophenyl)anilino)disulfanyl]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

490.07693 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.08421 208.1
[M+Na]+ 513.06615 206.7
[M-H]- 489.06965 219.6
[M+NH4]+ 508.11075 211.7
[M+K]+ 529.04009 192.9
[M+H-H2O]+ 473.07419 203.6
[M+HCOO]- 535.07513 223.6
[M+CH3COO]- 549.09078 232.4
[M+Na-2H]- 511.05160 214.7
[M]+ 490.07638 204.2
[M]- 490.07748 204.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.