CID 45054881

1-(2-(1-naphthoyl)carbohydrazonoyl)-2-naphthyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C29H18Cl2N2O3
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)N/N=C/C3=C(C=CC4=CC=CC=C43)OC(=O)C5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C29H18Cl2N2O3/c30-20-13-14-24(26(31)16-20)29(35)36-27-15-12-19-7-2-4-10-22(19)25(27)17-32-33-28(34)23-11-5-8-18-6-1-3-9-21(18)23/h1-17H,(H,33,34)/b32-17+
InChIKey
STUDSXQZBJYTJV-VTNSRFBWSA-N
Compound name
[1-[(E)-(naphthalene-1-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.06946 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.07674 220.6
[M+Na]+ 535.05868 229.4
[M-H]- 511.06218 231.9
[M+NH4]+ 530.10328 229.6
[M+K]+ 551.03262 221.5
[M+H-H2O]+ 495.06672 209.7
[M+HCOO]- 557.06766 234.3
[M+CH3COO]- 571.08331 228.8
[M+Na-2H]- 533.04413 224.3
[M]+ 512.06891 228.2
[M]- 512.07001 228.2
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.