CID 9637935

2-ethoxy-4-(2-((4-isopropylphenoxy)ac)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C28H30N2O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)C(C)C)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C28H30N2O6/c1-5-34-26-16-20(6-15-25(26)36-28(32)22-9-11-23(33-4)12-10-22)17-29-30-27(31)18-35-24-13-7-21(8-14-24)19(2)3/h6-17,19H,5,18H2,1-4H3,(H,30,31)/b29-17+
InChIKey
OJUQJRMKIBVBKV-STBIYBPSSA-N
Compound name
[2-ethoxy-4-[(E)-[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.2104 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.21768 220.7
[M+Na]+ 513.19962 223.5
[M-H]- 489.20312 230.8
[M+NH4]+ 508.24422 226.9
[M+K]+ 529.17356 221.5
[M+H-H2O]+ 473.20766 208.5
[M+HCOO]- 535.20860 243.4
[M+CH3COO]- 549.22425 247.6
[M+Na-2H]- 511.18507 219.2
[M]+ 490.20985 227.8
[M]- 490.21095 227.8
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.