CID 3057626

Propanamide, 3-amino-n-(2-((2-benzoyl-4-chlorophenyl)amino)-2-oxoethyl)-, ethanedioate, hydrate (2:1:4)

Structural Information

Molecular Formula
C18H18ClN3O3
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NCC(=O)NC(=O)CCN
InChI
InChI=1S/C18H18ClN3O3/c19-13-6-7-15(21-11-17(24)22-16(23)8-9-20)14(10-13)18(25)12-4-2-1-3-5-12/h1-7,10,21H,8-9,11,20H2,(H,22,23,24)
InChIKey
SBYDAVCUESQLEK-UHFFFAOYSA-N
Compound name
3-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.10367 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.11095 184.2
[M+Na]+ 382.09289 188.9
[M-H]- 358.09639 190.0
[M+NH4]+ 377.13749 196.1
[M+K]+ 398.06683 183.8
[M+H-H2O]+ 342.10093 176.2
[M+HCOO]- 404.10187 203.4
[M+CH3COO]- 418.11752 219.9
[M+Na-2H]- 380.07834 184.8
[M]+ 359.10312 184.9
[M]- 359.10422 184.9
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.