CID 19660572

4-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 4-methylbenzoate

Structural Information

Molecular Formula
C24H21N3O4
SMILES
CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=C(C=C3)C
InChI
InChI=1S/C24H21N3O4/c1-16-3-9-19(10-4-16)24(30)31-21-13-7-18(8-14-21)15-25-27-23(29)22(28)26-20-11-5-17(2)6-12-20/h3-15H,1-2H3,(H,26,28)(H,27,29)/b25-15+
InChIKey
JBCLXXIFXLYUOT-MFKUBSTISA-N
Compound name
[4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1532 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.16048 201.1
[M+Na]+ 438.14242 212.8
[M+NH4]+ 433.18702 206.2
[M+K]+ 454.11636 206.0
[M-H]- 414.14592 207.4
[M+Na-2H]- 436.12787 209.9
[M]+ 415.15265 204.2
[M]- 415.15375 204.2
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.