CID 9662385

1-(2-benzoylcarbohydrazonoyl)-2-naphthyl 4-methylbenzoate

Structural Information

Molecular Formula
C26H20N2O3
SMILES
CC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H20N2O3/c1-18-11-13-21(14-12-18)26(30)31-24-16-15-19-7-5-6-10-22(19)23(24)17-27-28-25(29)20-8-3-2-4-9-20/h2-17H,1H3,(H,28,29)/b27-17+
InChIKey
SZHFCIXLTDTFQS-WPWMEQJKSA-N
Compound name
[1-[(E)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.1474 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.15468 198.9
[M+Na]+ 431.13662 204.0
[M-H]- 407.14012 210.1
[M+NH4]+ 426.18122 209.3
[M+K]+ 447.11056 198.7
[M+H-H2O]+ 391.14466 187.5
[M+HCOO]- 453.14560 222.4
[M+CH3COO]- 467.16125 231.2
[M+Na-2H]- 429.12207 203.0
[M]+ 408.14685 200.0
[M]- 408.14795 200.0
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.