CID 9669089

4-(2-(2-methylbenzoyl)carbohydrazonoyl)phenyl 3-methylbenzoate

Structural Information

Molecular Formula
C23H20N2O3
SMILES
CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3C
InChI
InChI=1S/C23H20N2O3/c1-16-6-5-8-19(14-16)23(27)28-20-12-10-18(11-13-20)15-24-25-22(26)21-9-4-3-7-17(21)2/h3-15H,1-2H3,(H,25,26)/b24-15+
InChIKey
KDZPXMZDDSICNN-BUVRLJJBSA-N
Compound name
[4-[(E)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1474 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15468 191.1
[M+Na]+ 395.13662 205.2
[M+NH4]+ 390.18122 197.9
[M+K]+ 411.11056 196.8
[M-H]- 371.14012 198.3
[M+Na-2H]- 393.12207 201.4
[M]+ 372.14685 195.1
[M]- 372.14795 195.1
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.