CID 9680423

3-(2-((5-isopropyl-2-methylphenoxy)ac)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C27H28N2O5
SMILES
CC1=C(C=C(C=C1)C(C)C)OCC(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C27H28N2O5/c1-18(2)22-9-8-19(3)25(15-22)33-17-26(30)29-28-16-20-6-5-7-24(14-20)34-27(31)21-10-12-23(32-4)13-11-21/h5-16,18H,17H2,1-4H3,(H,29,30)/b28-16+
InChIKey
KHHJIHJNBLPROJ-LQKURTRISA-N
Compound name
[3-[(E)-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.19983 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.20711 213.9
[M+Na]+ 483.18905 217.4
[M-H]- 459.19255 224.3
[M+NH4]+ 478.23365 221.5
[M+K]+ 499.16299 214.8
[M+H-H2O]+ 443.19709 202.2
[M+HCOO]- 505.19803 236.9
[M+CH3COO]- 519.21368 242.6
[M+Na-2H]- 481.17450 212.6
[M]+ 460.19928 219.4
[M]- 460.20038 219.4
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.