CID 9632701

1-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)-2-naphthyl 4-chlorobenzoate

Structural Information

Molecular Formula
C27H20ClN3O4
SMILES
CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H20ClN3O4/c1-17-6-13-21(14-7-17)30-25(32)26(33)31-29-16-23-22-5-3-2-4-18(22)10-15-24(23)35-27(34)19-8-11-20(28)12-9-19/h2-16H,1H3,(H,30,32)(H,31,33)/b29-16+
InChIKey
PCUVAIBHSKARPT-MUFRIFMGSA-N
Compound name
[1-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.11423 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.12151 215.8
[M+Na]+ 508.10345 230.1
[M+NH4]+ 503.14805 222.0
[M+K]+ 524.07739 221.1
[M-H]- 484.10695 223.4
[M+Na-2H]- 506.08890 225.0
[M]+ 485.11368 220.2
[M]- 485.11478 220.2
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.