CID 135733837

N-(2-(2-((2-ho-1-naphthyl)methylene)hydrazino)-2-oxoethyl)3,4-dimethoxybenzamide

Structural Information

Molecular Formula
C22H21N3O5
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)O)OC
InChI
InChI=1S/C22H21N3O5/c1-29-19-10-8-15(11-20(19)30-2)22(28)23-13-21(27)25-24-12-17-16-6-4-3-5-14(16)7-9-18(17)26/h3-12,26H,13H2,1-2H3,(H,23,28)(H,25,27)/b24-12+
InChIKey
BBIKKKZRAKKQGJ-WYMPLXKRSA-N
Compound name
N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.14813 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.15541 194.3
[M+Na]+ 430.13735 199.1
[M-H]- 406.14085 201.6
[M+NH4]+ 425.18195 204.5
[M+K]+ 446.11129 196.2
[M+H-H2O]+ 390.14539 184.2
[M+HCOO]- 452.14633 218.0
[M+CH3COO]- 466.16198 232.2
[M+Na-2H]- 428.12280 198.0
[M]+ 407.14758 197.7
[M]- 407.14868 197.7
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.