CID 51060857

3,4-dichloro-n-(2-(2-(4-cl-3-nitrobenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C16H11Cl3N4O4
SMILES
C1=CC(=C(C=C1/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C16H11Cl3N4O4/c17-11-4-2-10(6-13(11)19)16(25)20-8-15(24)22-21-7-9-1-3-12(18)14(5-9)23(26)27/h1-7H,8H2,(H,20,25)(H,22,24)/b21-7+
InChIKey
YKLSXCULOJZGLZ-QPSGOUHRSA-N
Compound name
3,4-dichloro-N-[2-[(2E)-2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.9846 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.99188 191.9
[M+Na]+ 450.97382 204.8
[M+NH4]+ 446.01842 197.7
[M+K]+ 466.94776 199.6
[M-H]- 426.97732 196.7
[M+Na-2H]- 448.95927 198.0
[M]+ 427.98405 195.6
[M]- 427.98515 195.6
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.