CID 9578560

Brn 3085537

Structural Information

Molecular Formula
C16H14Cl2N2O2
SMILES
COC1=C(C=C(C=C1Cl)C(=O)N/N=C/CC2=CC=CC=C2)Cl
InChI
InChI=1S/C16H14Cl2N2O2/c1-22-15-13(17)9-12(10-14(15)18)16(21)20-19-8-7-11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3,(H,20,21)/b19-8+
InChIKey
AKDFMHPBPGQRKE-UFWORHAWSA-N
Compound name
3,5-dichloro-4-methoxy-N-[(E)-2-phenylethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.04324 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.05052 175.6
[M+Na]+ 359.03246 184.3
[M-H]- 335.03596 183.0
[M+NH4]+ 354.07706 190.9
[M+K]+ 375.00640 178.1
[M+H-H2O]+ 319.04050 168.8
[M+HCOO]- 381.04144 193.0
[M+CH3COO]- 395.05709 213.7
[M+Na-2H]- 357.01791 179.0
[M]+ 336.04269 181.3
[M]- 336.04379 181.3
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.