CID 9633326

2-ethoxy-4-(2-((4-f-anilino)carbothioyl)carbohydrazonoyl)ph 4-methoxybenzoate

Structural Information

Molecular Formula
C24H22FN3O4S
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=S)NC2=CC=C(C=C2)F)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H22FN3O4S/c1-3-31-22-14-16(15-26-28-24(33)27-19-9-7-18(25)8-10-19)4-13-21(22)32-23(29)17-5-11-20(30-2)12-6-17/h4-15H,3H2,1-2H3,(H2,27,28,33)/b26-15+
InChIKey
FKAYAPXUZHNITM-CVKSISIWSA-N
Compound name
[2-ethoxy-4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.1315 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.13878 209.7
[M+Na]+ 490.12072 220.3
[M+NH4]+ 485.16532 214.6
[M+K]+ 506.09466 211.2
[M-H]- 466.12422 214.9
[M+Na-2H]- 488.10617 217.7
[M]+ 467.13095 212.8
[M]- 467.13205 212.8
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.