CID 9625090

4-(2-((3-chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 1-naphthoate

Structural Information

Molecular Formula
C25H18ClN3O2S
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=CC=C(C=C3)/C=N/NC(=S)NC4=CC(=CC=C4)Cl
InChI
InChI=1S/C25H18ClN3O2S/c26-19-7-4-8-20(15-19)28-25(32)29-27-16-17-11-13-21(14-12-17)31-24(30)23-10-3-6-18-5-1-2-9-22(18)23/h1-16H,(H2,28,29,32)/b27-16+
InChIKey
LIHBUBOCVNLCFD-JVWAILMASA-N
Compound name
[4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.0808 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.08808 206.7
[M+Na]+ 482.07002 221.8
[M+NH4]+ 477.11462 215.0
[M+K]+ 498.04396 209.4
[M-H]- 458.07352 215.7
[M+Na-2H]- 480.05547 217.9
[M]+ 459.08025 212.2
[M]- 459.08135 212.2
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.