CID 45055338

2-(2-(2-(1-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=CC=CC4=CC=CC=C43
InChI
InChI=1S/C27H21ClN2O4/c1-18(33-25-12-6-9-19-7-2-4-10-23(19)25)26(31)30-29-17-21-8-3-5-11-24(21)34-27(32)20-13-15-22(28)16-14-20/h2-18H,1H3,(H,30,31)/b29-17+
InChIKey
XACIDPPXNDQQRK-STBIYBPSSA-N
Compound name
[2-[(E)-(2-naphthalen-1-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 212.7
[M+Na]+ 495.10822 227.8
[M+NH4]+ 490.15282 219.6
[M+K]+ 511.08216 218.4
[M-H]- 471.11172 220.3
[M+Na-2H]- 493.09367 222.6
[M]+ 472.11845 217.3
[M]- 472.11955 217.3
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.