CID 3042177

Glycinamide, glycyl-n-(2-benzoyl-4-chlorophenyl)-n-methyl-, hydrate (2:1)

Structural Information

Molecular Formula
C18H18ClN3O3
SMILES
CN(CC(=O)NC(=O)CN)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H18ClN3O3/c1-22(11-17(24)21-16(23)10-20)15-8-7-13(19)9-14(15)18(25)12-5-3-2-4-6-12/h2-9H,10-11,20H2,1H3,(H,21,23,24)
InChIKey
TULPEQSEEGGWDU-UHFFFAOYSA-N
Compound name
2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

359.10367 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.11095 184.5
[M+Na]+ 382.09289 189.4
[M-H]- 358.09639 191.8
[M+NH4]+ 377.13749 197.0
[M+K]+ 398.06683 185.7
[M+H-H2O]+ 342.10093 176.4
[M+HCOO]- 404.10187 204.2
[M+CH3COO]- 418.11752 223.1
[M+Na-2H]- 380.07834 184.4
[M]+ 359.10312 186.5
[M]- 359.10422 186.5
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

patents stripe