CID 389580

Nsc685885

Structural Information

Molecular Formula
C30H24N2O4S
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=CC=C5
InChI
InChI=1S/C30H24N2O4S/c33-29-25-18-10-11-19-26(25)30(34)28(27(29)31-37(35,36)24-16-8-3-9-17-24)32(20-22-12-4-1-5-13-22)21-23-14-6-2-7-15-23/h1-19,31H,20-21H2
InChIKey
RSGMVFUNSCLZDM-UHFFFAOYSA-N
Compound name
N-[3-(dibenzylamino)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.1457 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.15298 221.2
[M+Na]+ 531.13492 225.9
[M-H]- 507.13842 234.3
[M+NH4]+ 526.17952 227.2
[M+K]+ 547.10886 219.5
[M+H-H2O]+ 491.14296 208.9
[M+HCOO]- 553.14390 237.7
[M+CH3COO]- 567.15955 228.3
[M+Na-2H]- 529.12037 225.2
[M]+ 508.14515 222.9
[M]- 508.14625 222.9
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.