CID 9578554

Brn 3085221

Structural Information

Molecular Formula
C12H14Cl2N2O2
SMILES
CC/C=N/NC(=O)C1=CC(=C(C(=C1)Cl)OCC)Cl
InChI
InChI=1S/C12H14Cl2N2O2/c1-3-5-15-16-12(17)8-6-9(13)11(18-4-2)10(14)7-8/h5-7H,3-4H2,1-2H3,(H,16,17)/b15-5+
InChIKey
VLQXLBXKNWFCDG-PJQLUOCWSA-N
Compound name
3,5-dichloro-4-ethoxy-N-[(E)-propylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.04324 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05052 163.0
[M+Na]+ 311.03246 172.1
[M-H]- 287.03596 167.6
[M+NH4]+ 306.07706 180.7
[M+K]+ 327.00640 167.2
[M+H-H2O]+ 271.04050 158.0
[M+HCOO]- 333.04144 180.3
[M+CH3COO]- 347.05709 206.2
[M+Na-2H]- 309.01791 165.9
[M]+ 288.04269 169.4
[M]- 288.04379 169.4
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.