CID 9639543

3-(2-(diphenoxyacetyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C29H24N2O6
SMILES
COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=N/NC(=O)C(OC3=CC=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C29H24N2O6/c1-34-23-17-15-22(16-18-23)28(33)35-26-14-8-9-21(19-26)20-30-31-27(32)29(36-24-10-4-2-5-11-24)37-25-12-6-3-7-13-25/h2-20,29H,1H3,(H,31,32)/b30-20+
InChIKey
BNHWZSAOTJBYCB-TWKHWXDSSA-N
Compound name
[3-[(E)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.16342 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.17070 218.5
[M+Na]+ 519.15264 219.9
[M-H]- 495.15614 230.8
[M+NH4]+ 514.19724 222.9
[M+K]+ 535.12658 217.3
[M+H-H2O]+ 479.16068 204.9
[M+HCOO]- 541.16162 241.6
[M+CH3COO]- 555.17727 244.1
[M+Na-2H]- 517.13809 220.4
[M]+ 496.16287 221.9
[M]- 496.16397 221.9
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.