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 228.6
[M+Na]+ 553.17336 230.2
[M-H]- 529.17686 241.3
[M+NH4]+ 548.21796 232.4
[M+K]+ 569.14730 226.1
[M+H-H2O]+ 513.18140 214.4
[M+HCOO]- 575.18234 249.4
[M+CH3COO]- 589.19799 252.4
[M+Na-2H]- 551.15881 230.7
[M]+ 530.18359 230.7
[M]- 530.18469 230.7
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.