CID 6875963

(e)-3,4,5-trimethoxybenzoic acid ((2-chlorophenyl)methylene)hydrazide

Structural Information

Molecular Formula
C17H17ClN2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N/N=C/C2=CC=CC=C2Cl
InChI
InChI=1S/C17H17ClN2O4/c1-22-14-8-12(9-15(23-2)16(14)24-3)17(21)20-19-10-11-6-4-5-7-13(11)18/h4-10H,1-3H3,(H,20,21)/b19-10+
InChIKey
SKPKJIGYCQSMOY-VXLYETTFSA-N
Compound name
N-[(E)-(2-chlorophenyl)methylideneamino]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.08768 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.09496 178.7
[M+Na]+ 371.07690 187.2
[M-H]- 347.08040 187.2
[M+NH4]+ 366.12150 193.2
[M+K]+ 387.05084 183.6
[M+H-H2O]+ 331.08494 170.7
[M+HCOO]- 393.08588 201.3
[M+CH3COO]- 407.10153 218.1
[M+Na-2H]- 369.06235 181.9
[M]+ 348.08713 186.7
[M]- 348.08823 186.7
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

patents stripe