CID 9633060

1-(2-(((3-me-benzoyl)amino)ac)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C30H27N3O6
SMILES
CC1=CC(=CC=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C30H27N3O6/c1-19-7-6-9-21(15-19)29(35)31-18-28(34)33-32-17-24-23-10-5-4-8-20(23)11-13-25(24)39-30(36)22-12-14-26(37-2)27(16-22)38-3/h4-17H,18H2,1-3H3,(H,31,35)(H,33,34)/b32-17+
InChIKey
ITBNWWPISNSUBG-VTNSRFBWSA-N
Compound name
[1-[(E)-[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.19 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.19728 226.9
[M+Na]+ 548.17922 229.8
[M-H]- 524.18272 237.8
[M+NH4]+ 543.22382 232.0
[M+K]+ 564.15316 227.3
[M+H-H2O]+ 508.18726 214.1
[M+HCOO]- 570.18820 249.3
[M+CH3COO]- 584.20385 256.8
[M+Na-2H]- 546.16467 227.7
[M]+ 525.18945 232.1
[M]- 525.19055 232.1
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.