CID 3042186

Glycinamide, glycyl-n-(4-chloro-2-(2-fluorobenzoyl)phenyl)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C18H17ClFN3O3
SMILES
CN(CC(=O)NC(=O)CN)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2F
InChI
InChI=1S/C18H17ClFN3O3/c1-23(10-17(25)22-16(24)9-21)15-7-6-11(19)8-13(15)18(26)12-4-2-3-5-14(12)20/h2-8H,9-10,21H2,1H3,(H,22,24,25)
InChIKey
ANDIPHFPEXJXRQ-UHFFFAOYSA-N
Compound name
2-amino-N-[2-[4-chloro-2-(2-fluorobenzoyl)-N-methylanilino]acetyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.09424 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.10152 187.0
[M+Na]+ 400.08346 192.8
[M-H]- 376.08696 193.2
[M+NH4]+ 395.12806 199.0
[M+K]+ 416.05740 188.8
[M+H-H2O]+ 360.09150 178.1
[M+HCOO]- 422.09244 205.7
[M+CH3COO]- 436.10809 227.0
[M+Na-2H]- 398.06891 185.6
[M]+ 377.09369 188.4
[M]- 377.09479 188.4
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.