CID 135716588

4-ethoxy-n-(2-(2-((2-ho-1-naphthyl)methylene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C22H21N3O4
SMILES
CCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C22H21N3O4/c1-2-29-17-10-7-16(8-11-17)22(28)23-14-21(27)25-24-13-19-18-6-4-3-5-15(18)9-12-20(19)26/h3-13,26H,2,14H2,1H3,(H,23,28)(H,25,27)/b24-13+
InChIKey
WNPWNGZRNQHIRY-ZMOGYAJESA-N
Compound name
4-ethoxy-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 191.1
[M+Na]+ 414.14242 195.4
[M-H]- 390.14592 198.1
[M+NH4]+ 409.18702 201.9
[M+K]+ 430.11636 191.5
[M+H-H2O]+ 374.15046 181.1
[M+HCOO]- 436.15140 214.7
[M+CH3COO]- 450.16705 228.5
[M+Na-2H]- 412.12787 195.4
[M]+ 391.15265 192.8
[M]- 391.15375 192.8
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.