CID 51060431

2-(2-(2-(2-naphthyloxy)propanoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C27H21ClN2O4
SMILES
CC(C(=O)N/N=C/C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)Cl)OC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C27H21ClN2O4/c1-18(33-24-15-12-19-6-2-3-7-21(19)16-24)26(31)30-29-17-22-8-4-5-9-25(22)34-27(32)20-10-13-23(28)14-11-20/h2-18H,1H3,(H,30,31)/b29-17+
InChIKey
FBQBBWRMHQZSMH-STBIYBPSSA-N
Compound name
[2-[(E)-(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.119 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.12628 212.5
[M+Na]+ 495.10822 217.4
[M-H]- 471.11172 223.3
[M+NH4]+ 490.15282 221.1
[M+K]+ 511.08216 212.0
[M+H-H2O]+ 455.11626 201.6
[M+HCOO]- 517.11720 230.4
[M+CH3COO]- 531.13285 240.4
[M+Na-2H]- 493.09367 214.7
[M]+ 472.11845 217.6
[M]- 472.11955 217.6
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.