CID 9578556

Brn 3086510

Structural Information

Molecular Formula
C18H18Cl2N2O2
SMILES
CCOC1=C(C=C(C=C1Cl)C(=O)N/N=C(\C)/CC2=CC=CC=C2)Cl
InChI
InChI=1S/C18H18Cl2N2O2/c1-3-24-17-15(19)10-14(11-16(17)20)18(23)22-21-12(2)9-13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3,(H,22,23)/b21-12+
InChIKey
DPYMTXSTLSODSW-CIAFOILYSA-N
Compound name
3,5-dichloro-4-ethoxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.07452 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.08180 184.4
[M+Na]+ 387.06374 192.0
[M-H]- 363.06724 191.6
[M+NH4]+ 382.10834 198.5
[M+K]+ 403.03768 185.9
[M+H-H2O]+ 347.07178 177.4
[M+HCOO]- 409.07272 200.2
[M+CH3COO]- 423.08837 220.4
[M+Na-2H]- 385.04919 185.6
[M]+ 364.07397 190.3
[M]- 364.07507 190.3
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.