CID 135602186

Acetamide, n-[5-chloro-3-[[4-(diethylamino)-2-methylphenyl]imino]-4-methyl-6-oxo-1,4-cyclohexadien-1-yl]-

Structural Information

Molecular Formula
C20H24ClN3O2
SMILES
CCN(CC)C1=CC(=C(C=C1)N=C2C=C(C(=O)C(=C2C)Cl)NC(=O)C)C
InChI
InChI=1S/C20H24ClN3O2/c1-6-24(7-2)15-8-9-16(12(3)10-15)23-17-11-18(22-14(5)25)20(26)19(21)13(17)4/h8-11H,6-7H2,1-5H3,(H,22,25)
InChIKey
HYINZODUJDSJMX-UHFFFAOYSA-N
Compound name
N-[5-chloro-3-[4-(diethylamino)-2-methylphenyl]imino-4-methyl-6-oxocyclohexa-1,4-dien-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

80
Patents

373.1557 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.162976 191.8
[M+Na]+ 396.144918 199.6
[M-H]- 372.148424 201.5
[M+NH4]+ 391.189523 206.1
[M+K]+ 412.118858 195.2
[M+H-H2O]+ 356.152960 183.8
[M+HCOO]- 418.153901 213.1
[M+CH3COO]- 432.169551 233.3
[M+Na-2H]- 394.130366 190.4
[M]+ 373.15515142 197.3
[M]- 373.15624858 197.3
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