CID 9578549

Brn 1827918

Structural Information

Molecular Formula
C18H18Cl2N2O2
SMILES
CCCCOC1=C(C=C(C=C1Cl)C(=O)N/N=C/C2=CC=CC=C2)Cl
InChI
InChI=1S/C18H18Cl2N2O2/c1-2-3-9-24-17-15(19)10-14(11-16(17)20)18(23)22-21-12-13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3,(H,22,23)/b21-12+
InChIKey
GMALOZXGFVTEOP-CIAFOILYSA-N
Compound name
N-[(E)-benzylideneamino]-4-butoxy-3,5-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.07452 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.08180 184.7
[M+Na]+ 387.06374 192.6
[M-H]- 363.06724 191.8
[M+NH4]+ 382.10834 198.9
[M+K]+ 403.03768 185.9
[M+H-H2O]+ 347.07178 177.4
[M+HCOO]- 409.07272 201.4
[M+CH3COO]- 423.08837 219.5
[M+Na-2H]- 385.04919 187.0
[M]+ 364.07397 191.1
[M]- 364.07507 191.1
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.