CID 9623853

2-methoxy-4-(2-(phenylacetyl)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C26H26N2O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)CC3=CC=CC=C3)OC
InChI
InChI=1S/C26H26N2O5/c1-3-15-32-22-12-10-21(11-13-22)26(30)33-23-14-9-20(16-24(23)31-2)18-27-28-25(29)17-19-7-5-4-6-8-19/h4-14,16,18H,3,15,17H2,1-2H3,(H,28,29)/b27-18+
InChIKey
DCKMCSWAHCRELF-OVVQPSECSA-N
Compound name
[2-methoxy-4-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.18417 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.19145 209.2
[M+Na]+ 469.17339 212.6
[M-H]- 445.17689 219.3
[M+NH4]+ 464.21799 217.2
[M+K]+ 485.14733 209.3
[M+H-H2O]+ 429.18143 197.3
[M+HCOO]- 491.18237 233.5
[M+CH3COO]- 505.19802 237.5
[M+Na-2H]- 467.15884 210.3
[M]+ 446.18362 214.5
[M]- 446.18472 214.5
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.