CID 9688125

1-(2-((decanoylamino)acetyl)carbohydrazonoyl)-2-naphthyl 4-chlorobenzoate

Structural Information

Molecular Formula
C30H34ClN3O4
SMILES
CCCCCCCCCC(=O)NCC(=O)N/N=C/C1=C(C=CC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C30H34ClN3O4/c1-2-3-4-5-6-7-8-13-28(35)32-21-29(36)34-33-20-26-25-12-10-9-11-22(25)16-19-27(26)38-30(37)23-14-17-24(31)18-15-23/h9-12,14-20H,2-8,13,21H2,1H3,(H,32,35)(H,34,36)/b33-20+
InChIKey
ILIKJLAVXADEAI-FMFFXOCNSA-N
Compound name
[1-[(E)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.22375 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.23103 233.7
[M+Na]+ 558.21297 235.6
[M-H]- 534.21647 240.3
[M+NH4]+ 553.25757 240.0
[M+K]+ 574.18691 229.4
[M+H-H2O]+ 518.22101 223.0
[M+HCOO]- 580.22195 250.7
[M+CH3COO]- 594.23760 256.7
[M+Na-2H]- 556.19842 232.6
[M]+ 535.22320 241.0
[M]- 535.22430 241.0
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.