CID 9631295

1-(2-((1-naphthylamino)(oxo)ac)carbohydrazonoyl)-2-naphthyl 4-methoxybenzoate

Structural Information

Molecular Formula
C31H23N3O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C(=O)NC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C31H23N3O5/c1-38-23-16-13-22(14-17-23)31(37)39-28-18-15-21-8-2-4-10-24(21)26(28)19-32-34-30(36)29(35)33-27-12-6-9-20-7-3-5-11-25(20)27/h2-19H,1H3,(H,33,35)(H,34,36)/b32-19+
InChIKey
ZDISZDJNSAPBAP-BIZUNTBRSA-N
Compound name
[1-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.16376 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.17104 222.4
[M+Na]+ 540.15298 226.3
[M-H]- 516.15648 234.1
[M+NH4]+ 535.19758 228.4
[M+K]+ 556.12692 222.3
[M+H-H2O]+ 500.16102 209.3
[M+HCOO]- 562.16196 245.0
[M+CH3COO]- 576.17761 253.1
[M+Na-2H]- 538.13843 227.4
[M]+ 517.16321 225.9
[M]- 517.16431 225.9
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.