CID 45054909

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

Structural Information

Molecular Formula
C27H22N2O3
SMILES
CC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=CC=CC=C4C
InChI
InChI=1S/C27H22N2O3/c1-18-11-13-21(14-12-18)27(31)32-25-16-15-20-8-4-6-10-23(20)24(25)17-28-29-26(30)22-9-5-3-7-19(22)2/h3-17H,1-2H3,(H,29,30)/b28-17+
InChIKey
OGNSDDVYSFOAMP-OGLMXYFKSA-N
Compound name
[1-[(E)-[(2-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.16306 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.17034 204.0
[M+Na]+ 445.15228 209.5
[M-H]- 421.15578 215.3
[M+NH4]+ 440.19688 214.1
[M+K]+ 461.12622 204.2
[M+H-H2O]+ 405.16032 192.5
[M+HCOO]- 467.16126 227.1
[M+CH3COO]- 481.17691 235.3
[M+Na-2H]- 443.13773 206.8
[M]+ 422.16251 205.8
[M]- 422.16361 205.8
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.