CID 9665882

1-(2-(1-naphthoyl)carbohydrazonoyl)-2-naphthyl 2-chlorobenzoate

Structural Information

Molecular Formula
C29H19ClN2O3
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)N/N=C/C3=C(C=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5Cl
InChI
InChI=1S/C29H19ClN2O3/c30-26-15-6-5-13-24(26)29(34)35-27-17-16-20-9-2-4-12-22(20)25(27)18-31-32-28(33)23-14-7-10-19-8-1-3-11-21(19)23/h1-18H,(H,32,33)/b31-18+
InChIKey
MOPJGJCVEBNPGC-FDAWAROLSA-N
Compound name
[1-[(E)-(naphthalene-1-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.10843 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.11571 214.7
[M+Na]+ 501.09765 222.1
[M-H]- 477.10115 226.6
[M+NH4]+ 496.14225 224.1
[M+K]+ 517.07159 214.7
[M+H-H2O]+ 461.10569 203.0
[M+HCOO]- 523.10663 233.3
[M+CH3COO]- 537.12228 223.3
[M+Na-2H]- 499.08310 219.9
[M]+ 478.10788 219.9
[M]- 478.10898 219.9
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.