CID 51060502

4-(2-((1-naphthylamino)(oxo)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C26H19N3O4
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C26H19N3O4/c30-24(28-23-12-6-10-19-7-4-5-11-22(19)23)25(31)29-27-17-18-13-15-21(16-14-18)33-26(32)20-8-2-1-3-9-20/h1-17H,(H,28,30)(H,29,31)/b27-17+
InChIKey
SIYRDCZMFQWUSL-WPWMEQJKSA-N
Compound name
[4-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.13754 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.14482 202.5
[M+Na]+ 460.12676 205.5
[M-H]- 436.13026 213.2
[M+NH4]+ 455.17136 210.8
[M+K]+ 476.10070 201.4
[M+H-H2O]+ 420.13480 190.7
[M+HCOO]- 482.13574 226.3
[M+CH3COO]- 496.15139 236.3
[M+Na-2H]- 458.11221 207.2
[M]+ 437.13699 202.5
[M]- 437.13809 202.5
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.