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 197.3
[M+Na]+ 457.09412 197.7
[M-H]- 433.09762 205.4
[M+NH4]+ 452.13872 203.6
[M+K]+ 473.06806 188.2
[M+H-H2O]+ 417.10216 190.8
[M+HCOO]- 479.10310 216.4
[M+CH3COO]- 493.11875 225.9
[M+Na-2H]- 455.07957 200.8
[M]+ 434.10435 193.8
[M]- 434.10545 193.8
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.