CID 68903

Dinazafone

Structural Information

Molecular Formula
C20H21ClN2O2
SMILES
CC(=C)CNCC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H21ClN2O2/c1-14(2)12-22-13-19(24)23(3)18-10-9-16(21)11-17(18)20(25)15-7-5-4-6-8-15/h4-11,22H,1,12-13H2,2-3H3
InChIKey
QJPROCZAUFTKEV-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-N-methyl-2-(2-methylprop-2-enylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

356.12915 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.136426 185.6
[M+Na]+ 379.118368 190.6
[M-H]- 355.121874 193.1
[M+NH4]+ 374.162973 198.9
[M+K]+ 395.092308 185.9
[M+H-H2O]+ 339.126410 177.6
[M+HCOO]- 401.127351 204.1
[M+CH3COO]- 415.143001 222.7
[M+Na-2H]- 377.103816 185.0
[M]+ 356.12860142 188.7
[M]- 356.12969858 188.7
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.