CID 9591552

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

Structural Information

Molecular Formula
C21H17N3O4
SMILES
COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H17N3O4/c1-28-21(27)16-11-9-14(10-12-16)13-22-24-20(26)19(25)23-18-8-4-6-15-5-2-3-7-17(15)18/h2-13H,1H3,(H,23,25)(H,24,26)/b22-13+
InChIKey
YNIOGHNTKGEMHL-LPYMAVHISA-N
Compound name
methyl 4-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.12192 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12920 187.8
[M+Na]+ 398.11114 198.8
[M+NH4]+ 393.15574 193.5
[M+K]+ 414.08508 192.4
[M-H]- 374.11464 192.5
[M+Na-2H]- 396.09659 195.0
[M]+ 375.12137 190.3
[M]- 375.12247 190.3
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.