CID 135483930

Nsc60849

Structural Information

Molecular Formula
C24H24N6O2S
SMILES
CC(SC(C(=O)N/N=C/C1=CNC2=CC=CC=C12)C)C(=O)N/N=C/C3=CNC4=CC=CC=C34
InChI
InChI=1S/C24H24N6O2S/c1-15(23(31)29-27-13-17-11-25-21-9-5-3-7-19(17)21)33-16(2)24(32)30-28-14-18-12-26-22-10-6-4-8-20(18)22/h3-16,25-26H,1-2H3,(H,29,31)(H,30,32)/b27-13+,28-14+
InChIKey
VOZVLRIHFOWAOG-OCHFTUDZSA-N
Compound name
N-[(E)-1H-indol-3-ylmethylideneamino]-2-[1-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.16815 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.17543 206.2
[M+Na]+ 483.15737 211.0
[M-H]- 459.16087 212.9
[M+NH4]+ 478.20197 216.7
[M+K]+ 499.13131 205.3
[M+H-H2O]+ 443.16541 197.7
[M+HCOO]- 505.16635 224.9
[M+CH3COO]- 519.18200 213.9
[M+Na-2H]- 481.14282 208.4
[M]+ 460.16760 210.2
[M]- 460.16870 210.2
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.