CID 212226

Brn 3085205

Structural Information

Molecular Formula
C13H14Cl2N2O2
SMILES
CC(=NNC(=O)C1=CC(=C(C(=C1)Cl)OCC=C)Cl)C
InChI
InChI=1S/C13H14Cl2N2O2/c1-4-5-19-12-10(14)6-9(7-11(12)15)13(18)17-16-8(2)3/h4,6-7H,1,5H2,2-3H3,(H,17,18)
InChIKey
VDASLTTYXZAHHK-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-(propan-2-ylideneamino)-4-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.04324 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05052 166.3
[M+Na]+ 323.03246 175.0
[M-H]- 299.03596 170.9
[M+NH4]+ 318.07706 183.4
[M+K]+ 339.00640 169.7
[M+H-H2O]+ 283.04050 161.4
[M+HCOO]- 345.04144 182.5
[M+CH3COO]- 359.05709 209.2
[M+Na-2H]- 321.01791 167.5
[M]+ 300.04269 171.8
[M]- 300.04379 171.8
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.