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]+ 526.197276 226.9
[M+Na]+ 548.179218 229.8
[M-H]- 524.182724 237.8
[M+NH4]+ 543.223823 232.0
[M+K]+ 564.153158 227.3
[M+H-H2O]+ 508.187260 214.1
[M+HCOO]- 570.188201 249.3
[M+CH3COO]- 584.203851 256.8
[M+Na-2H]- 546.164666 227.7
[M]+ 525.18945142 232.1
[M]- 525.19054858 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.