CID 9578557

Brn 3086911

Structural Information

Molecular Formula
C20H22Cl2N2O2
SMILES
CCCCOC1=C(C=C(C=C1Cl)C(=O)N/N=C(\C)/CC2=CC=CC=C2)Cl
InChI
InChI=1S/C20H22Cl2N2O2/c1-3-4-10-26-19-17(21)12-16(13-18(19)22)20(25)24-23-14(2)11-15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,24,25)/b23-14+
InChIKey
DVABTOXNNDGVLZ-OEAKJJBVSA-N
Compound name
4-butoxy-3,5-dichloro-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.10583 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.11311 193.5
[M+Na]+ 415.09505 200.2
[M-H]- 391.09855 200.3
[M+NH4]+ 410.13965 206.5
[M+K]+ 431.06899 193.7
[M+H-H2O]+ 375.10309 186.0
[M+HCOO]- 437.10403 208.6
[M+CH3COO]- 451.11968 226.2
[M+Na-2H]- 413.08050 193.7
[M]+ 392.10528 200.1
[M]- 392.10638 200.1
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.