CID 205561

(2-cyclohexylamino-5-acetamido)tropone

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]+ 261.159746 159.2
[M+Na]+ 283.141688 161.0
[M-H]- 259.145194 166.0
[M+NH4]+ 278.186293 173.8
[M+K]+ 299.115628 163.4
[M+H-H2O]+ 243.149730 152.1
[M+HCOO]- 305.150671 180.0
[M+CH3COO]- 319.166321 201.5
[M+Na-2H]- 281.127136 161.5
[M]+ 260.15192142 151.6
[M]- 260.15301858 151.6
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.