CID 9631953

1-(2-((1-naphthoylamino)acetyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate

Structural Information

Molecular Formula
C32H25N3O4
SMILES
CC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)CNC(=O)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C32H25N3O4/c1-21-13-15-24(16-14-21)32(38)39-29-18-17-23-8-3-5-11-26(23)28(29)19-34-35-30(36)20-33-31(37)27-12-6-9-22-7-2-4-10-25(22)27/h2-19H,20H2,1H3,(H,33,37)(H,35,36)/b34-19+
InChIKey
SXFYVOYIFGHHHZ-ALQBTCKLSA-N
Compound name
[1-[(E)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.1845 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.19178 224.3
[M+Na]+ 538.17372 228.0
[M-H]- 514.17722 235.7
[M+NH4]+ 533.21832 230.3
[M+K]+ 554.14766 222.8
[M+H-H2O]+ 498.18176 211.2
[M+HCOO]- 560.18270 246.4
[M+CH3COO]- 574.19835 231.1
[M+Na-2H]- 536.15917 228.5
[M]+ 515.18395 226.8
[M]- 515.18505 226.8
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.