CID 9578547

Brn 1826900

Structural Information

Molecular Formula
C17H16Cl2N2O2
SMILES
CCCOC1=C(C=C(C=C1Cl)C(=O)N/N=C/C2=CC=CC=C2)Cl
InChI
InChI=1S/C17H16Cl2N2O2/c1-2-8-23-16-14(18)9-13(10-15(16)19)17(22)21-20-11-12-6-4-3-5-7-12/h3-7,9-11H,2,8H2,1H3,(H,21,22)/b20-11+
InChIKey
JGEFIIJPMAFTRH-RGVLZGJSSA-N
Compound name
N-[(E)-benzylideneamino]-3,5-dichloro-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.05887 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.06615 180.2
[M+Na]+ 373.04809 188.5
[M-H]- 349.05159 187.4
[M+NH4]+ 368.09269 194.9
[M+K]+ 389.02203 182.0
[M+H-H2O]+ 333.05613 173.1
[M+HCOO]- 395.05707 197.2
[M+CH3COO]- 409.07272 216.6
[M+Na-2H]- 371.03354 183.0
[M]+ 350.05832 186.2
[M]- 350.05942 186.2
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.