CID 9623347

4-(2-(4-((4-methylbenzyl)oxy)benzoyl)carbohydrazonoyl)phenyl 1-naphthoate

Structural Information

Molecular Formula
C33H26N2O4
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C33H26N2O4/c1-23-9-11-25(12-10-23)22-38-28-19-15-27(16-20-28)32(36)35-34-21-24-13-17-29(18-14-24)39-33(37)31-8-4-6-26-5-2-3-7-30(26)31/h2-21H,22H2,1H3,(H,35,36)/b34-21+
InChIKey
VXYITIFPTLRUJR-KEIPNQJHSA-N
Compound name
[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.1893 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.19658 227.6
[M+Na]+ 537.17852 230.9
[M-H]- 513.18202 240.7
[M+NH4]+ 532.22312 232.6
[M+K]+ 553.15246 225.2
[M+H-H2O]+ 497.18656 213.5
[M+HCOO]- 559.18750 249.3
[M+CH3COO]- 573.20315 234.3
[M+Na-2H]- 535.16397 229.7
[M]+ 514.18875 229.4
[M]- 514.18985 229.4
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.