CID 9678491

2-ethoxy-4-(2-(2-methylbenzoyl)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C27H28N2O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3C)OCC
InChI
InChI=1S/C27H28N2O5/c1-4-16-33-22-13-11-21(12-14-22)27(31)34-24-15-10-20(17-25(24)32-5-2)18-28-29-26(30)23-9-7-6-8-19(23)3/h6-15,17-18H,4-5,16H2,1-3H3,(H,29,30)/b28-18+
InChIKey
KMDPMTSKUSPVPV-MTDXEUNCSA-N
Compound name
[2-ethoxy-4-[(E)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.19983 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.20711 214.0
[M+Na]+ 483.18905 217.8
[M-H]- 459.19255 224.2
[M+NH4]+ 478.23365 221.7
[M+K]+ 499.16299 214.5
[M+H-H2O]+ 443.19709 202.0
[M+HCOO]- 505.19803 237.9
[M+CH3COO]- 519.21368 241.7
[M+Na-2H]- 481.17450 213.8
[M]+ 460.19928 220.0
[M]- 460.20038 220.0
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.