CID 45054683

3,4-dichloro-n-(2-oxo-2-(2-(2-thienylmethylene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C14H11Cl2N3O2S
SMILES
C1=CSC(=C1)/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl2N3O2S/c15-11-4-3-9(6-12(11)16)14(21)17-8-13(20)19-18-7-10-2-1-5-22-10/h1-7H,8H2,(H,17,21)(H,19,20)/b18-7+
InChIKey
WMJJIXVANZPBGL-CNHKJKLMSA-N
Compound name
3,4-dichloro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.9949 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.00218 181.1
[M+Na]+ 377.98412 188.7
[M-H]- 353.98762 189.0
[M+NH4]+ 373.02872 197.3
[M+K]+ 393.95806 182.2
[M+H-H2O]+ 337.99216 175.0
[M+HCOO]- 399.99310 194.7
[M+CH3COO]- 414.00875 214.4
[M+Na-2H]- 375.96957 180.9
[M]+ 354.99435 186.3
[M]- 354.99545 186.3
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.