CID 9651817

4-(2-(4-methylbenzoyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C22H18N2O3
SMILES
CC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H18N2O3/c1-16-7-11-18(12-8-16)21(25)24-23-15-17-9-13-20(14-10-17)27-22(26)19-5-3-2-4-6-19/h2-15H,1H3,(H,24,25)/b23-15+
InChIKey
QXIBLGITPDYGBG-HZHRSRAPSA-N
Compound name
[4-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.13174 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13902 185.7
[M+Na]+ 381.12096 190.6
[M-H]- 357.12446 196.3
[M+NH4]+ 376.16556 197.4
[M+K]+ 397.09490 186.4
[M+H-H2O]+ 341.12900 175.1
[M+HCOO]- 403.12994 211.2
[M+CH3COO]- 417.14559 220.3
[M+Na-2H]- 379.10641 189.4
[M]+ 358.13119 186.6
[M]- 358.13229 186.6
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.