CID 9633560

5-(benzoyloxy)-2-(2-(3-pyridinylcarbonyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C27H19N3O5
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)/C=N/NC(=O)C3=CN=CC=C3)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H19N3O5/c31-25(22-12-7-15-28-17-22)30-29-18-21-13-14-23(34-26(32)19-8-3-1-4-9-19)16-24(21)35-27(33)20-10-5-2-6-11-20/h1-18H,(H,30,31)/b29-18+
InChIKey
COQMSDRAYQBALI-RDRPBHBLSA-N
Compound name
[3-benzoyloxy-4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.13248 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.13976 210.2
[M+Na]+ 488.12170 213.1
[M-H]- 464.12520 221.8
[M+NH4]+ 483.16630 214.7
[M+K]+ 504.09564 209.1
[M+H-H2O]+ 448.12974 196.5
[M+HCOO]- 510.13068 232.9
[M+CH3COO]- 524.14633 237.7
[M+Na-2H]- 486.10715 213.4
[M]+ 465.13193 211.4
[M]- 465.13303 211.4
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.