CID 9632182

4-(2-((1-naphthylamino)(oxo)acetyl)carbohydrazonoyl)phenyl 3-phenylacrylate

Structural Information

Molecular Formula
C28H21N3O4
SMILES
C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C28H21N3O4/c32-26(18-15-20-7-2-1-3-8-20)35-23-16-13-21(14-17-23)19-29-31-28(34)27(33)30-25-12-6-10-22-9-4-5-11-24(22)25/h1-19H,(H,30,33)(H,31,34)/b18-15+,29-19+
InChIKey
JXMHRWWUOVQRBV-VPMSBXQOSA-N
Compound name
[4-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.1532 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.16048 210.7
[M+Na]+ 486.14242 213.2
[M-H]- 462.14592 221.1
[M+NH4]+ 481.18702 217.9
[M+K]+ 502.11636 208.1
[M+H-H2O]+ 446.15046 198.6
[M+HCOO]- 508.15140 234.0
[M+CH3COO]- 522.16705 240.8
[M+Na-2H]- 484.12787 214.4
[M]+ 463.15265 210.6
[M]- 463.15375 210.6
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.