CID 51060367

2-ethoxy-4-(2-(2-(1-naphthyloxy)propanoyl)carbohydrazonoyl)phenyl 4-cl-benzoate

Structural Information

Molecular Formula
C29H25ClN2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C)OC2=CC=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C29H25ClN2O5/c1-3-35-27-17-20(11-16-26(27)37-29(34)22-12-14-23(30)15-13-22)18-31-32-28(33)19(2)36-25-10-6-8-21-7-4-5-9-24(21)25/h4-19H,3H2,1-2H3,(H,32,33)/b31-18+
InChIKey
PVPJEIMEZQLXJH-FDAWAROLSA-N
Compound name
[2-ethoxy-4-[(E)-(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.1452 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.15248 224.1
[M+Na]+ 539.13442 228.6
[M-H]- 515.13792 234.9
[M+NH4]+ 534.17902 231.0
[M+K]+ 555.10836 224.0
[M+H-H2O]+ 499.14246 212.7
[M+HCOO]- 561.14340 241.4
[M+CH3COO]- 575.15905 249.5
[M+Na-2H]- 537.11987 224.8
[M]+ 516.14465 231.6
[M]- 516.14575 231.6
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.