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 186.5
[M+Na]+ 398.11114 190.9
[M-H]- 374.11464 194.9
[M+NH4]+ 393.15574 198.3
[M+K]+ 414.08508 187.9
[M+H-H2O]+ 358.11918 176.5
[M+HCOO]- 420.12012 211.2
[M+CH3COO]- 434.13577 225.4
[M+Na-2H]- 396.09659 191.2
[M]+ 375.12137 187.8
[M]- 375.12247 187.8
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.