CID 9650098

4-(2-((2-methoxyanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 1-naphthoate

Structural Information

Molecular Formula
C27H21N3O5
SMILES
COC1=CC=CC=C1NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C27H21N3O5/c1-34-24-12-5-4-11-23(24)29-25(31)26(32)30-28-17-18-13-15-20(16-14-18)35-27(33)22-10-6-8-19-7-2-3-9-21(19)22/h2-17H,1H3,(H,29,31)(H,30,32)/b28-17+
InChIKey
BWKFUWBBPSBYGF-OGLMXYFKSA-N
Compound name
[4-[(E)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.14813 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.15541 210.1
[M+Na]+ 490.13735 213.3
[M-H]- 466.14085 221.0
[M+NH4]+ 485.18195 217.4
[M+K]+ 506.11129 210.0
[M+H-H2O]+ 450.14539 198.0
[M+HCOO]- 512.14633 233.7
[M+CH3COO]- 526.16198 242.7
[M+Na-2H]- 488.12280 213.8
[M]+ 467.14758 212.2
[M]- 467.14868 212.2
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.