CID 9610473

1-(2-(((2-chlorobenzoyl)amino)ac)carbohydrazonoyl)-2-naphthyl 4-methoxybenzoate

Structural Information

Molecular Formula
C28H22ClN3O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)CNC(=O)C4=CC=CC=C4Cl
InChI
InChI=1S/C28H22ClN3O5/c1-36-20-13-10-19(11-14-20)28(35)37-25-15-12-18-6-2-3-7-21(18)23(25)16-31-32-26(33)17-30-27(34)22-8-4-5-9-24(22)29/h2-16H,17H2,1H3,(H,30,34)(H,32,33)/b31-16+
InChIKey
SKBQCFDTPATSJA-WCMJOSRZSA-N
Compound name
[1-[(E)-[[2-[(2-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.1248 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.13208 221.7
[M+Na]+ 538.11402 226.1
[M-H]- 514.11752 232.6
[M+NH4]+ 533.15862 228.3
[M+K]+ 554.08796 221.4
[M+H-H2O]+ 498.12206 210.4
[M+HCOO]- 560.12300 240.6
[M+CH3COO]- 574.13865 250.7
[M+Na-2H]- 536.09947 223.8
[M]+ 515.12425 227.6
[M]- 515.12535 227.6
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.