CID 9578548

23959-52-6

Structural Information

Molecular Formula
C17H16Cl2N2O2
SMILES
CC(C)OC1=C(C=C(C=C1Cl)C(=O)N/N=C/C2=CC=CC=C2)Cl
InChI
InChI=1S/C17H16Cl2N2O2/c1-11(2)23-16-14(18)8-13(9-15(16)19)17(22)21-20-10-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,22)/b20-10+
InChIKey
MPYFFZFBSCXEQJ-KEBDBYFISA-N
Compound name
N-[(E)-benzylideneamino]-3,5-dichloro-4-propan-2-yloxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.05887 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.06615 179.8
[M+Na]+ 373.04809 187.8
[M-H]- 349.05159 187.2
[M+NH4]+ 368.09269 194.5
[M+K]+ 389.02203 182.0
[M+H-H2O]+ 333.05613 173.0
[M+HCOO]- 395.05707 195.9
[M+CH3COO]- 409.07272 217.5
[M+Na-2H]- 371.03354 181.6
[M]+ 350.05832 185.4
[M]- 350.05942 185.4
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.