CID 199632

Brn 2225842

Structural Information

Molecular Formula
C17H16ClN3O3
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NCC(=O)NC(=O)CN
InChI
InChI=1S/C17H16ClN3O3/c18-12-6-7-14(20-10-16(23)21-15(22)9-19)13(8-12)17(24)11-4-2-1-3-5-11/h1-8,20H,9-10,19H2,(H,21,22,23)
InChIKey
YFHFBMRWAFKQAP-UHFFFAOYSA-N
Compound name
2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.088 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.095276 179.7
[M+Na]+ 368.077218 184.9
[M-H]- 344.080724 185.7
[M+NH4]+ 363.121823 192.2
[M+K]+ 384.051158 180.0
[M+H-H2O]+ 328.085260 171.9
[M+HCOO]- 390.086201 199.3
[M+CH3COO]- 404.101851 216.9
[M+Na-2H]- 366.062666 180.9
[M]+ 345.08745142 180.1
[M]- 345.08854858 180.1
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.