CID 51060562

4-(2-(anilino(oxo)acetyl)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C25H23N3O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C25H23N3O5/c1-2-16-32-21-14-10-19(11-15-21)25(31)33-22-12-8-18(9-13-22)17-26-28-24(30)23(29)27-20-6-4-3-5-7-20/h3-15,17H,2,16H2,1H3,(H,27,29)(H,28,30)/b26-17+
InChIKey
YJDOFTGUZQQWLS-YZSQISJMSA-N
Compound name
[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.16376 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.171036 206.7
[M+Na]+ 468.152978 208.9
[M-H]- 444.156484 216.7
[M+NH4]+ 463.197583 214.1
[M+K]+ 484.126918 206.0
[M+H-H2O]+ 428.161020 194.8
[M+HCOO]- 490.161961 231.7
[M+CH3COO]- 504.177611 237.6
[M+Na-2H]- 466.138426 208.7
[M]+ 445.16321142 209.1
[M]- 445.16430858 209.1
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.