CID 135602186

102387-48-4

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
2
Annotation Hits

0
References

71
Patents

373.1557 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16298 190.8
[M+Na]+ 396.14492 203.4
[M+NH4]+ 391.18952 197.6
[M+K]+ 412.11886 195.6
[M-H]- 372.14842 196.4
[M+Na-2H]- 394.13037 197.0
[M]+ 373.15515 194.4
[M]- 373.15625 194.4
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

patents stripe