CID 3066757

Glycine, n-(2-benzoyl-4-chlorophenyl)-, 2-((4-ethoxyphenyl)thioxomethyl)hydrazide

Structural Information

Molecular Formula
C24H22ClN3O3S
SMILES
CCOC1=CC=C(C=C1)C(=S)NNC(=O)CNC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H22ClN3O3S/c1-2-31-19-11-8-17(9-12-19)24(32)28-27-22(29)15-26-21-13-10-18(25)14-20(21)23(30)16-6-4-3-5-7-16/h3-14,26H,2,15H2,1H3,(H,27,29)(H,28,32)
InChIKey
KWXQLPLRKNQXKR-UHFFFAOYSA-N
Compound name
2-(2-benzoyl-4-chloroanilino)-N'-(4-ethoxybenzenecarbothioyl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.10703 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.11431 209.8
[M+Na]+ 490.09625 213.7
[M-H]- 466.09975 218.7
[M+NH4]+ 485.14085 217.7
[M+K]+ 506.07019 206.7
[M+H-H2O]+ 450.10429 200.5
[M+HCOO]- 512.10523 223.6
[M+CH3COO]- 526.12088 238.0
[M+Na-2H]- 488.08170 209.3
[M]+ 467.10648 213.6
[M]- 467.10758 213.6
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.