CID 9672139

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

Structural Information

Molecular Formula
C34H43N3O6
SMILES
CCCCCCCCCCCC(=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/C34H43N3O6/c1-4-5-6-7-8-9-10-11-12-17-32(38)35-24-33(39)37-36-23-28-27-16-14-13-15-25(27)18-20-29(28)43-34(40)26-19-21-30(41-2)31(22-26)42-3/h13-16,18-23H,4-12,17,24H2,1-3H3,(H,35,38)(H,37,39)/b36-23+
InChIKey
GIJWNDXNPJBJMR-GOJREDGKSA-N
Compound name
[1-[(E)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

589.3152 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.32248 248.8
[M+Na]+ 612.30442 248.0
[M-H]- 588.30792 254.8
[M+NH4]+ 607.34902 251.6
[M+K]+ 628.27836 244.7
[M+H-H2O]+ 572.31246 235.9
[M+HCOO]- 634.31340 268.8
[M+CH3COO]- 648.32905 270.4
[M+Na-2H]- 610.28987 245.9
[M]+ 589.31465 257.6
[M]- 589.31575 257.6
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.