CID 51060215

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

Structural Information

Molecular Formula
C22H17ClN2O3
SMILES
CC1=CC=CC=C1C(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H17ClN2O3/c1-15-5-2-3-8-20(15)21(26)25-24-14-16-6-4-7-19(13-16)28-22(27)17-9-11-18(23)12-10-17/h2-14H,1H3,(H,25,26)/b24-14+
InChIKey
XEDHRTOHVFEZDK-ZVHZXABRSA-N
Compound name
[3-[(E)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.09277 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.10005 193.2
[M+Na]+ 415.08199 199.9
[M-H]- 391.08549 204.0
[M+NH4]+ 410.12659 204.8
[M+K]+ 431.05593 194.1
[M+H-H2O]+ 375.09003 183.4
[M+HCOO]- 437.09097 214.2
[M+CH3COO]- 451.10662 225.0
[M+Na-2H]- 413.06744 195.6
[M]+ 392.09222 197.1
[M]- 392.09332 197.1
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.