CID 9610952

1-(2-((1-naphthylamino)(oxo)ac)carbohydrazonoyl)-2-naphthyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C30H19Cl2N3O4
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C(=O)N/N=C/C3=C(C=CC4=CC=CC=C43)OC(=O)C5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C30H19Cl2N3O4/c31-20-13-14-23(25(32)16-20)30(38)39-27-15-12-19-7-1-3-9-21(19)24(27)17-33-35-29(37)28(36)34-26-11-5-8-18-6-2-4-10-22(18)26/h1-17H,(H,34,36)(H,35,37)/b33-17+
InChIKey
QWNYVJMUXAARNM-ATZGPIRCSA-N
Compound name
[1-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

555.07526 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.08254 228.1
[M+Na]+ 578.06448 235.3
[M-H]- 554.06798 239.5
[M+NH4]+ 573.10908 235.0
[M+K]+ 594.03842 228.8
[M+H-H2O]+ 538.07252 217.4
[M+HCOO]- 600.07346 242.1
[M+CH3COO]- 614.08911 235.4
[M+Na-2H]- 576.04993 231.7
[M]+ 555.07471 235.8
[M]- 555.07581 235.8
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.