CID 321615

Nsc273903

Structural Information

Molecular Formula
C24H24N2O4S4
SMILES
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCSSCCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C24H24N2O4S4/c27-33(28,23-11-9-19-5-1-3-7-21(19)17-23)25-13-15-31-32-16-14-26-34(29,30)24-12-10-20-6-2-4-8-22(20)18-24/h1-12,17-18,25-26H,13-16H2
InChIKey
UIACBEMHZOJRMP-UHFFFAOYSA-N
Compound name
N-[2-[2-(naphthalen-2-ylsulfonylamino)ethyldisulfanyl]ethyl]naphthalene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.0619 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.06918 218.7
[M+Na]+ 555.05112 224.1
[M-H]- 531.05462 221.2
[M+NH4]+ 550.09572 224.7
[M+K]+ 571.02506 212.4
[M+H-H2O]+ 515.05916 210.7
[M+HCOO]- 577.06010 219.3
[M+CH3COO]- 591.07575 240.5
[M+Na-2H]- 553.03657 230.3
[M]+ 532.06135 220.8
[M]- 532.06245 220.8
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.