CID 9639598

1-(2-(4-chlorobenzoyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C27H21ClN2O5
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=CC=C(C=C4)Cl)OC
InChI
InChI=1S/C27H21ClN2O5/c1-33-24-14-10-19(15-25(24)34-2)27(32)35-23-13-9-17-5-3-4-6-21(17)22(23)16-29-30-26(31)18-7-11-20(28)12-8-18/h3-16H,1-2H3,(H,30,31)/b29-16+
InChIKey
LFYBVQNLPNPICO-MUFRIFMGSA-N
Compound name
[1-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.1139 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.12118 216.3
[M+Na]+ 511.10312 223.1
[M-H]- 487.10662 227.9
[M+NH4]+ 506.14772 224.8
[M+K]+ 527.07706 218.2
[M+H-H2O]+ 471.11116 205.2
[M+HCOO]- 533.11210 235.3
[M+CH3COO]- 547.12775 244.3
[M+Na-2H]- 509.08857 218.4
[M]+ 488.11335 224.2
[M]- 488.11445 224.2
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.