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 205.5
[M+Na]+ 509.02380 212.8
[M-H]- 485.02730 216.4
[M+NH4]+ 504.06840 216.3
[M+K]+ 524.99774 199.3
[M+H-H2O]+ 469.03184 201.9
[M+HCOO]- 531.03278 220.9
[M+CH3COO]- 545.04843 234.4
[M+Na-2H]- 507.00925 206.8
[M]+ 486.03403 226.2
[M]- 486.03513 226.2
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.