CID 205561

18188-71-1

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CC(=O)NC1=CC=C(C(=O)C=C1)NC2CCCCC2
InChI
InChI=1S/C15H20N2O2/c1-11(18)16-13-7-9-14(15(19)10-8-13)17-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,16,18)(H,17,19)
InChIKey
SVOJGWDJIISROG-UHFFFAOYSA-N
Compound name
N-[4-(cyclohexylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.15247 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 162.0
[M+Na]+ 283.14169 169.8
[M+NH4]+ 278.18629 168.5
[M+K]+ 299.11563 165.2
[M-H]- 259.14519 165.6
[M+Na-2H]- 281.12714 167.6
[M]+ 260.15192 163.8
[M]- 260.15302 163.8
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.