CID 9632190

769147-85-5

Structural Information

Molecular Formula
C28H23N3O5
SMILES
CC1=CC(=CC=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C(=O)NC4=CC=C(C=C4)OC
InChI
InChI=1S/C28H23N3O5/c1-18-6-5-8-20(16-18)28(34)36-25-15-10-19-7-3-4-9-23(19)24(25)17-29-31-27(33)26(32)30-21-11-13-22(35-2)14-12-21/h3-17H,1-2H3,(H,30,32)(H,31,33)/b29-17+
InChIKey
OVSZMDGWDNSQDA-STBIYBPSSA-N
Compound name
[1-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.16376 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.17104 216.4
[M+Na]+ 504.15298 229.0
[M+NH4]+ 499.19758 221.5
[M+K]+ 520.12692 221.4
[M-H]- 480.15648 223.4
[M+Na-2H]- 502.13843 225.0
[M]+ 481.16321 219.9
[M]- 481.16431 219.9
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.