CID 135499427

Nsc659719

Structural Information

Molecular Formula
C23H15N5O2S
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)/C(=C/NC(=S)N=NC3=C(NC4=CC=CC=C43)O)/C#N
InChI
InChI=1S/C23H15N5O2S/c24-12-17(21(29)16-10-9-14-5-1-2-6-15(14)11-16)13-25-23(31)28-27-20-18-7-3-4-8-19(18)26-22(20)30/h1-11,13,26,30H,(H,25,31)/b17-13+,28-27?
InChIKey
PCSQZEARNNHCES-ABSGYWCNSA-N
Compound name
1-[(E)-2-cyano-3-naphthalen-2-yl-3-oxoprop-1-enyl]-3-[(2-hydroxy-1H-indol-3-yl)imino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.09464 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.10192 215.6
[M+Na]+ 448.08386 224.6
[M-H]- 424.08736 220.5
[M+NH4]+ 443.12846 225.4
[M+K]+ 464.05780 215.1
[M+H-H2O]+ 408.09190 200.4
[M+HCOO]- 470.09284 229.0
[M+CH3COO]- 484.10849 221.6
[M+Na-2H]- 446.06931 216.3
[M]+ 425.09409 211.6
[M]- 425.09519 211.6
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.