CID 9681705

N'-[(1e)-[4-(cyclohexylsulfanyl)-3-nitrophenyl]methylidene]-2-(phenylamino)acetohydrazide

Structural Information

Molecular Formula
C21H24N4O3S
SMILES
C1CCC(CC1)SC2=C(C=C(C=C2)/C=N/NC(=O)CNC3=CC=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H24N4O3S/c26-21(15-22-17-7-3-1-4-8-17)24-23-14-16-11-12-20(19(13-16)25(27)28)29-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,22H,2,5-6,9-10,15H2,(H,24,26)/b23-14+
InChIKey
BSZPAGNGLLJQPM-OEAKJJBVSA-N
Compound name
2-anilino-N-[(E)-(4-cyclohexylsulfanyl-3-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.15692 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.16420 191.9
[M+Na]+ 435.14614 191.2
[M-H]- 411.14964 200.3
[M+NH4]+ 430.19074 200.1
[M+K]+ 451.12008 181.8
[M+H-H2O]+ 395.15418 185.4
[M+HCOO]- 457.15512 210.5
[M+CH3COO]- 471.17077 224.3
[M+Na-2H]- 433.13159 195.4
[M]+ 412.15637 186.6
[M]- 412.15747 186.6
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.