CID 9554956

Nsc213561

Structural Information

Molecular Formula
C15H12Cl2N2O2
SMILES
COC1=CC=C(C=C1)C(=O)N/N=C/C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C15H12Cl2N2O2/c1-21-11-7-5-10(6-8-11)15(20)19-18-9-12-13(16)3-2-4-14(12)17/h2-9H,1H3,(H,19,20)/b18-9+
InChIKey
DKRMZWSFEMIMQX-GIJQJNRQSA-N
Compound name
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0276 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.03488 171.0
[M+Na]+ 345.01682 180.2
[M-H]- 321.02032 178.6
[M+NH4]+ 340.06142 186.9
[M+K]+ 360.99076 174.2
[M+H-H2O]+ 305.02486 164.4
[M+HCOO]- 367.02580 188.7
[M+CH3COO]- 381.04145 210.8
[M+Na-2H]- 343.00227 174.9
[M]+ 322.02705 176.4
[M]- 322.02815 176.4
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.