CID 9675512

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

Structural Information

Molecular Formula
C30H22N2O3
SMILES
CC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C30H22N2O3/c1-20-13-15-23(16-14-20)30(34)35-28-18-17-22-8-3-5-11-25(22)27(28)19-31-32-29(33)26-12-6-9-21-7-2-4-10-24(21)26/h2-19H,1H3,(H,32,33)/b31-19+
InChIKey
STKKESIXFFRDMG-ZCTHSVRISA-N
Compound name
[1-[(E)-(naphthalene-1-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.16306 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.17034 212.4
[M+Na]+ 481.15228 218.4
[M-H]- 457.15578 224.3
[M+NH4]+ 476.19688 221.5
[M+K]+ 497.12622 212.0
[M+H-H2O]+ 441.16032 199.7
[M+HCOO]- 503.16126 234.9
[M+CH3COO]- 517.17691 220.8
[M+Na-2H]- 479.13773 217.5
[M]+ 458.16251 214.8
[M]- 458.16361 214.8
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.