CID 45055123

4-bromo-2-(2-(oxo(3-toluidino)acetyl)carbohydrazonoyl)phenyl 2-methylbenzoate

Structural Information

Molecular Formula
C24H20BrN3O4
SMILES
CC1=CC(=CC=C1)NC(=O)C(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3C
InChI
InChI=1S/C24H20BrN3O4/c1-15-6-5-8-19(12-15)27-22(29)23(30)28-26-14-17-13-18(25)10-11-21(17)32-24(31)20-9-4-3-7-16(20)2/h3-14H,1-2H3,(H,27,29)(H,28,30)/b26-14+
InChIKey
ONNSGPJZQQNHES-VULFUBBASA-N
Compound name
[4-bromo-2-[(E)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.06372 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.07100 203.5
[M+Na]+ 516.05294 206.0
[M+NH4]+ 511.09754 205.2
[M+K]+ 532.02688 205.4
[M-H]- 492.05644 207.6
[M+Na-2H]- 514.03839 208.2
[M]+ 493.06317 203.6
[M]- 493.06427 203.6
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.