CID 2862052

Brn 3573225

Structural Information

Molecular Formula
C23H20BrClN2O3
SMILES
COC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)NC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C23H20BrClN2O3/c1-30-21(28)14-26-22(15-7-3-2-4-8-15)18-13-16(24)11-12-20(18)27-23(29)17-9-5-6-10-19(17)25/h2-13,22,26H,14H2,1H3,(H,27,29)
InChIKey
IVSFRRJBGAQAIA-UHFFFAOYSA-N
Compound name
methyl 2-[[[5-bromo-2-[(2-chlorobenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

486.03458 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.04186 202.5
[M+Na]+ 509.02380 206.7
[M+NH4]+ 504.06840 205.8
[M+K]+ 524.99774 204.8
[M-H]- 485.02730 206.9
[M+Na-2H]- 507.00925 207.9
[M]+ 486.03403 203.5
[M]- 486.03513 203.5
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.