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 200.6
[M+Na]+ 438.14242 204.4
[M-H]- 414.14592 211.2
[M+NH4]+ 433.18702 209.7
[M+K]+ 454.11636 201.0
[M+H-H2O]+ 398.15046 189.4
[M+HCOO]- 460.15140 225.7
[M+CH3COO]- 474.16705 233.8
[M+Na-2H]- 436.12787 202.1
[M]+ 415.15265 201.8
[M]- 415.15375 201.8
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.