CID 5404084

N'-{(e)-[4-(methylsulfanyl)phenyl]methylidene}-4-nitrobenzohydrazide

Structural Information

Molecular Formula
C15H13N3O3S
SMILES
CSC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H13N3O3S/c1-22-14-8-2-11(3-9-14)10-16-17-15(19)12-4-6-13(7-5-12)18(20)21/h2-10H,1H3,(H,17,19)/b16-10+
InChIKey
KOPPYZSOBNDAQW-MHWRWJLKSA-N
Compound name
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.06775 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.075026 169.2
[M+Na]+ 338.056968 174.1
[M-H]- 314.060474 176.9
[M+NH4]+ 333.101573 182.7
[M+K]+ 354.030908 165.6
[M+H-H2O]+ 298.065010 164.6
[M+HCOO]- 360.065951 191.7
[M+CH3COO]- 374.081601 204.3
[M+Na-2H]- 336.042416 174.1
[M]+ 315.06720142 169.1
[M]- 315.06829858 169.1
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.