CID 1907308

41859-56-7

Structural Information

Molecular Formula
C22H17Cl2NO3
SMILES
C1=CC(=CC=C1CCNC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H17Cl2NO3/c23-18-7-3-16(4-8-18)21(26)25-14-13-15-1-11-20(12-2-15)28-22(27)17-5-9-19(24)10-6-17/h1-12H,13-14H2,(H,25,26)
InChIKey
IFDVUUIJCJJBGN-UHFFFAOYSA-N
Compound name
[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.05856 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.06584 194.5
[M+Na]+ 436.04778 201.9
[M-H]- 412.05128 203.2
[M+NH4]+ 431.09238 205.6
[M+K]+ 452.02172 194.7
[M+H-H2O]+ 396.05582 186.1
[M+HCOO]- 458.05676 207.9
[M+CH3COO]- 472.07241 222.8
[M+Na-2H]- 434.03323 195.5
[M]+ 413.05801 199.8
[M]- 413.05911 199.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.