CID 9626017

1-(2-((dodecanoylamino)acetyl)carbohydrazonoyl)-2-naphthyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C32H37Cl2N3O4
SMILES
CCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=C(C=CC2=CC=CC=C21)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C32H37Cl2N3O4/c1-2-3-4-5-6-7-8-9-10-15-30(38)35-22-31(39)37-36-21-27-25-14-12-11-13-23(25)16-19-29(27)41-32(40)26-18-17-24(33)20-28(26)34/h11-14,16-21H,2-10,15,22H2,1H3,(H,35,38)(H,37,39)/b36-21+
InChIKey
TXTZVBYBCZQDSV-QLQYKETESA-N
Compound name
[1-[(E)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

597.2161 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.22338 247.9
[M+Na]+ 620.20532 250.4
[M-H]- 596.20882 253.9
[M+NH4]+ 615.24992 252.7
[M+K]+ 636.17926 242.9
[M+H-H2O]+ 580.21336 238.0
[M+HCOO]- 642.21430 259.4
[M+CH3COO]- 656.22995 266.6
[M+Na-2H]- 618.19077 244.5
[M]+ 597.21555 258.0
[M]- 597.21665 258.0
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.