CID 6870888

N'-benzylidene-3,4,5-trimethoxybenzohydrazide

Structural Information

Molecular Formula
C17H18N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N/N=C/C2=CC=CC=C2
InChI
InChI=1S/C17H18N2O4/c1-21-14-9-13(10-15(22-2)16(14)23-3)17(20)19-18-11-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20)/b18-11+
InChIKey
YYSPJNXAGUXEGN-WOJGMQOQSA-N
Compound name
N-[(E)-benzylideneamino]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.12665 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 171.8
[M+Na]+ 337.11587 178.5
[M-H]- 313.11937 180.1
[M+NH4]+ 332.16047 186.4
[M+K]+ 353.08981 176.6
[M+H-H2O]+ 297.12391 162.7
[M+HCOO]- 359.12485 198.9
[M+CH3COO]- 373.14050 213.3
[M+Na-2H]- 335.10132 176.2
[M]+ 314.12610 177.0
[M]- 314.12720 177.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe