CID 9642797

3,4-dimethoxy-n-(2-(2-(1-naphthylmethylene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C22H21N3O4
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CC3=CC=CC=C32)OC
InChI
InChI=1S/C22H21N3O4/c1-28-19-11-10-16(12-20(19)29-2)22(27)23-14-21(26)25-24-13-17-8-5-7-15-6-3-4-9-18(15)17/h3-13H,14H2,1-2H3,(H,23,27)(H,25,26)/b24-13+
InChIKey
SJANCHKWCSVRDL-ZMOGYAJESA-N
Compound name
3,4-dimethoxy-N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

391.1532 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.16048 193.6
[M+Na]+ 414.14242 205.1
[M+NH4]+ 409.18702 199.5
[M+K]+ 430.11636 197.9
[M-H]- 390.14592 198.8
[M+Na-2H]- 412.12787 200.8
[M]+ 391.15265 196.4
[M]- 391.15375 196.4
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

patents stripe