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 191.6
[M+Na]+ 414.14242 196.3
[M-H]- 390.14592 200.0
[M+NH4]+ 409.18702 203.1
[M+K]+ 430.11636 193.1
[M+H-H2O]+ 374.15046 181.3
[M+HCOO]- 436.15140 216.7
[M+CH3COO]- 450.16705 230.7
[M+Na-2H]- 412.12787 196.2
[M]+ 391.15265 195.0
[M]- 391.15375 195.0
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