CID 9639363

1-(2-(diphenoxyacetyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate

Structural Information

Molecular Formula
C33H26N2O5
SMILES
CC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C(OC4=CC=CC=C4)OC5=CC=CC=C5
InChI
InChI=1S/C33H26N2O5/c1-23-16-18-25(19-17-23)32(37)40-30-21-20-24-10-8-9-15-28(24)29(30)22-34-35-31(36)33(38-26-11-4-2-5-12-26)39-27-13-6-3-7-14-27/h2-22,33H,1H3,(H,35,36)/b34-22+
InChIKey
KUMMCPLKYXMCCC-PPOKSSTKSA-N
Compound name
[1-[(E)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.18414 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.19142 230.6
[M+Na]+ 553.17336 245.7
[M+NH4]+ 548.21796 236.6
[M+K]+ 569.14730 235.9
[M-H]- 529.17686 240.1
[M+Na-2H]- 551.15881 242.1
[M]+ 530.18359 235.5
[M]- 530.18469 235.5
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.