CID 9578553

Benzoic acid, 3,5-dichloro-4-methoxy-, 2-(alpha-methylphenethylidene)hydrazide

Structural Information

Molecular Formula
C17H16Cl2N2O2
SMILES
C/C(=N\NC(=O)C1=CC(=C(C(=C1)Cl)OC)Cl)/CC2=CC=CC=C2
InChI
InChI=1S/C17H16Cl2N2O2/c1-11(8-12-6-4-3-5-7-12)20-21-17(22)13-9-14(18)16(23-2)15(19)10-13/h3-7,9-10H,8H2,1-2H3,(H,21,22)/b20-11+
InChIKey
FXLWLOOAXONDLS-RGVLZGJSSA-N
Compound name
3,5-dichloro-4-methoxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.05887 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.066146 179.8
[M+Na]+ 373.048088 187.8
[M-H]- 349.051594 187.2
[M+NH4]+ 368.092693 194.5
[M+K]+ 389.022028 182.0
[M+H-H2O]+ 333.056130 173.0
[M+HCOO]- 395.057071 195.9
[M+CH3COO]- 409.072721 217.5
[M+Na-2H]- 371.033536 181.6
[M]+ 350.05832142 185.4
[M]- 350.05941858 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.