CID 9574937

Bis-(2-n-propoxybenzal)dithiosalicylhydrazide

Structural Information

Molecular Formula
C34H34N4O4S2
SMILES
CCCOC1=CC=CC=C1/C=N/NC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)N/N=C/C4=CC=CC=C4OCCC
InChI
InChI=1S/C34H34N4O4S2/c1-3-21-41-29-17-9-5-13-25(29)23-35-37-33(39)27-15-7-11-19-31(27)43-44-32-20-12-8-16-28(32)34(40)38-36-24-26-14-6-10-18-30(26)42-22-4-2/h5-20,23-24H,3-4,21-22H2,1-2H3,(H,37,39)(H,38,40)/b35-23+,36-24+
InChIKey
JUCMXXIHGIDUTB-VJTPSNAYSA-N
Compound name
N-[(E)-(2-propoxyphenyl)methylideneamino]-2-[[2-[[(E)-(2-propoxyphenyl)methylideneamino]carbamoyl]phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

626.20215 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 627.20943 249.2
[M+Na]+ 649.19137 249.8
[M-H]- 625.19487 260.7
[M+NH4]+ 644.23597 250.1
[M+K]+ 665.16531 241.9
[M+H-H2O]+ 609.19941 235.4
[M+HCOO]- 671.20035 264.5
[M+CH3COO]- 685.21600 272.4
[M+Na-2H]- 647.17682 249.6
[M]+ 626.20160 255.3
[M]- 626.20270 255.3
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.