CID 308295

Nsc209076

Structural Information

Molecular Formula
C17H17ClN2O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H17ClN2O5/c1-23-13-8-11(9-14(24-2)15(13)25-3)17(22)20-19-16(21)10-4-6-12(18)7-5-10/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKey
YBLRHBAFJNOOGX-UHFFFAOYSA-N
Compound name
N'-(4-chlorobenzoyl)-3,4,5-trimethoxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.0826 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.08988 181.1
[M+Na]+ 387.07182 188.7
[M-H]- 363.07532 188.5
[M+NH4]+ 382.11642 194.2
[M+K]+ 403.04576 185.7
[M+H-H2O]+ 347.07986 173.5
[M+HCOO]- 409.08080 201.5
[M+CH3COO]- 423.09645 218.3
[M+Na-2H]- 385.05727 183.0
[M]+ 364.08205 188.1
[M]- 364.08315 188.1
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.