CID 212225

Dtxsid20946810

Structural Information

Molecular Formula

C₁₂H₁₄Cl₂N₂O₂

SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)NN=C(C)C)Cl

InChI

InChI=1S/C12H14Cl2N2O2/c1-4-18-11-9(13)5-8(6-10(11)14)12(17)16-15-7(2)3/h5-6H,4H2,1-3H3,(H,16,17)

InChIKey

QBOTWUVOKSCYMJ-UHFFFAOYSA-N

Compound name

3,5-dichloro-4-ethoxy-N-(propan-2-ylideneamino)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.04324 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	289.050516	162.7
[M+Na]+	311.032458	171.6
[M-H]-	287.035964	167.5
[M+NH4]+	306.077063	180.4
[M+K]+	327.006398	167.2
[M+H-H2O]+	271.040500	158.0
[M+HCOO]-	333.041441	179.1
[M+CH3COO]-	347.057091	207.1
[M+Na-2H]-	309.017906	164.5
[M]+	288.04269142	168.6
[M]-	288.04378858	168.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.