CID 9639508

1-(2-((decanoylamino)acetyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C32H39N3O6
SMILES
CCCCCCCCCC(=O)NCC(=O)N/N=C/C1=C(C=CC2=CC=CC=C21)OC(=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C32H39N3O6/c1-4-5-6-7-8-9-10-15-30(36)33-22-31(37)35-34-21-26-25-14-12-11-13-23(25)16-18-27(26)41-32(38)24-17-19-28(39-2)29(20-24)40-3/h11-14,16-21H,4-10,15,22H2,1-3H3,(H,33,36)(H,35,37)/b34-21+
InChIKey
NVZLQQVYTKRWPU-KEIPNQJHSA-N
Compound name
[1-[(E)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

561.2839 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.29118 240.3
[M+Na]+ 584.27312 240.5
[M-H]- 560.27662 246.8
[M+NH4]+ 579.31772 244.3
[M+K]+ 600.24706 237.5
[M+H-H2O]+ 544.28116 227.8
[M+HCOO]- 606.28210 261.0
[M+CH3COO]- 620.29775 264.8
[M+Na-2H]- 582.25857 238.4
[M]+ 561.28335 248.5
[M]- 561.28445 248.5
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.