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 211.0
[M+Na]+ 490.12072 215.5
[M-H]- 466.12422 220.0
[M+NH4]+ 485.16532 218.7
[M+K]+ 506.09466 210.3
[M+H-H2O]+ 450.12876 198.8
[M+HCOO]- 512.12970 230.6
[M+CH3COO]- 526.14535 241.3
[M+Na-2H]- 488.10617 210.9
[M]+ 467.13095 215.1
[M]- 467.13205 215.1
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.