CID 9574931

Bis-(4-quinolylmethylene)dithiosalicylhydrazide

Structural Information

Molecular Formula
C34H24N6O2S2
SMILES
C1=CC=C2N=CC=C(C2=C1)/C=N/NC(=O)C3=CC=CC=C3SSC4=CC=CC=C4C(=O)N/N=C/C5=CC=NC6=CC=CC=C56
InChI
InChI=1S/C34H24N6O2S2/c41-33(39-37-21-23-17-19-35-29-13-5-1-9-25(23)29)27-11-3-7-15-31(27)43-44-32-16-8-4-12-28(32)34(42)40-38-22-24-18-20-36-30-14-6-2-10-26(24)30/h1-22H,(H,39,41)(H,40,42)/b37-21+,38-22+
InChIKey
KMDSBGGFXFDFNS-DITNJDIQSA-N
Compound name
N-[(E)-quinolin-4-ylmethylideneamino]-2-[[2-[[(E)-quinolin-4-ylmethylideneamino]carbamoyl]phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

612.1402 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.14748 233.9
[M+Na]+ 635.12942 239.0
[M-H]- 611.13292 245.0
[M+NH4]+ 630.17402 234.7
[M+K]+ 651.10336 229.1
[M+H-H2O]+ 595.13746 220.8
[M+HCOO]- 657.13840 247.4
[M+CH3COO]- 671.15405 238.6
[M+Na-2H]- 633.11487 243.2
[M]+ 612.13965 237.4
[M]- 612.14075 237.4
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.