CID 9637992

2-ethoxy-4-(2-((1-naphthoylamino)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C29H24ClN3O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C29H24ClN3O5/c1-2-37-26-16-19(10-15-25(26)38-29(36)21-11-13-22(30)14-12-21)17-32-33-27(34)18-31-28(35)24-9-5-7-20-6-3-4-8-23(20)24/h3-17H,2,18H2,1H3,(H,31,35)(H,33,34)/b32-17+
InChIKey
UNHVBVMLQINRIG-VTNSRFBWSA-N
Compound name
[2-ethoxy-4-[(E)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.14044 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.14772 226.0
[M+Na]+ 552.12966 230.0
[M-H]- 528.13316 236.7
[M+NH4]+ 547.17426 232.0
[M+K]+ 568.10360 225.1
[M+H-H2O]+ 512.13770 214.6
[M+HCOO]- 574.13864 244.6
[M+CH3COO]- 588.15429 253.5
[M+Na-2H]- 550.11511 227.6
[M]+ 529.13989 232.2
[M]- 529.14099 232.2
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.