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]+ 446.17104 206.7
[M+Na]+ 468.15298 208.9
[M-H]- 444.15648 216.7
[M+NH4]+ 463.19758 214.1
[M+K]+ 484.12692 206.0
[M+H-H2O]+ 428.16102 194.8
[M+HCOO]- 490.16196 231.7
[M+CH3COO]- 504.17761 237.6
[M+Na-2H]- 466.13843 208.7
[M]+ 445.16321 209.1
[M]- 445.16431 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.