CID 3066732

Glycine, n-(2-benzoyl-4-nitrophenyl)-, 2-(phenylthioxomethyl)hydrazide

Structural Information

Molecular Formula
C22H18N4O4S
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC(=O)NNC(=S)C3=CC=CC=C3
InChI
InChI=1S/C22H18N4O4S/c27-20(24-25-22(31)16-9-5-2-6-10-16)14-23-19-12-11-17(26(29)30)13-18(19)21(28)15-7-3-1-4-8-15/h1-13,23H,14H2,(H,24,27)(H,25,31)
InChIKey
CNZWACIUZACQBQ-UHFFFAOYSA-N
Compound name
N'-(benzenecarbonothioyl)-2-(2-benzoyl-4-nitroanilino)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.1049 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.11218 195.0
[M+Na]+ 457.09412 205.7
[M+NH4]+ 452.13872 200.5
[M+K]+ 473.06806 200.5
[M-H]- 433.09762 202.4
[M+Na-2H]- 455.07957 204.1
[M]+ 434.10435 198.6
[M]- 434.10545 198.6
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.