CID 3057613

Brn 6000035

Structural Information

Molecular Formula
C17H15Cl2N3O3
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)NCC(=O)NC(=O)CN)Cl
InChI
InChI=1S/C17H15Cl2N3O3/c18-10-5-6-14(21-9-16(24)22-15(23)8-20)12(7-10)17(25)11-3-1-2-4-13(11)19/h1-7,21H,8-9,20H2,(H,22,23,24)
InChIKey
WGSHSJUOIYJNFV-UHFFFAOYSA-N
Compound name
2-amino-N-[2-[4-chloro-2-(2-chlorobenzoyl)anilino]acetyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.04904 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.05632 185.8
[M+Na]+ 402.03826 192.3
[M-H]- 378.04176 191.5
[M+NH4]+ 397.08286 197.7
[M+K]+ 418.01220 186.3
[M+H-H2O]+ 362.04630 179.3
[M+HCOO]- 424.04724 200.4
[M+CH3COO]- 438.06289 222.2
[M+Na-2H]- 400.02371 185.5
[M]+ 379.04849 188.2
[M]- 379.04959 188.2
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.