CID 135483942

Nsc637435

Structural Information

Molecular Formula
C21H19Cl2N3O4
SMILES
CCOC(=O)C\1=C(OC/C1=N\NC(=O)CC2=CC=CC=C2)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H19Cl2N3O4/c1-2-29-21(28)19-17(25-26-18(27)10-13-6-4-3-5-7-13)12-30-20(19)24-14-8-9-15(22)16(23)11-14/h3-9,11,24H,2,10,12H2,1H3,(H,26,27)/b25-17+
InChIKey
UDFZTVFJSZLZLD-KOEQRZSOSA-N
Compound name
ethyl (4Z)-2-(3,4-dichloroanilino)-4-[(2-phenylacetyl)hydrazinylidene]furan-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.07526 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.08254 208.6
[M+Na]+ 470.06448 214.9
[M-H]- 446.06798 219.6
[M+NH4]+ 465.10908 219.0
[M+K]+ 486.03842 210.1
[M+H-H2O]+ 430.07252 200.3
[M+HCOO]- 492.07346 224.5
[M+CH3COO]- 506.08911 234.7
[M+Na-2H]- 468.04993 207.8
[M]+ 447.07471 214.9
[M]- 447.07581 214.9
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.