CID 51060178

2-methoxy-4-(2-(2-(2-naphthyloxy)propanoyl)carbohydrazonoyl)phenyl 2-cl-benzoate

Structural Information

Molecular Formula
C28H23ClN2O5
SMILES
CC(C(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2Cl)OC)OC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C28H23ClN2O5/c1-18(35-22-13-12-20-7-3-4-8-21(20)16-22)27(32)31-30-17-19-11-14-25(26(15-19)34-2)36-28(33)23-9-5-6-10-24(23)29/h3-18H,1-2H3,(H,31,32)/b30-17+
InChIKey
CFJMEWXYJUVERR-OCSSWDANSA-N
Compound name
[2-methoxy-4-[(E)-(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.12955 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.13683 219.7
[M+Na]+ 525.11877 224.7
[M-H]- 501.12227 230.6
[M+NH4]+ 520.16337 227.1
[M+K]+ 541.09271 220.2
[M+H-H2O]+ 485.12681 208.5
[M+HCOO]- 547.12775 237.3
[M+CH3COO]- 561.14340 246.6
[M+Na-2H]- 523.10422 220.9
[M]+ 502.12900 226.9
[M]- 502.13010 226.9
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.