CID 50494

3-amino-4-cyclohexylaminocoumarin

Structural Information

Molecular Formula
C15H18N2O2
SMILES
C1CCC(CC1)NC2=C(C(=O)OC3=CC=CC=C32)N
InChI
InChI=1S/C15H18N2O2/c16-13-14(17-10-6-2-1-3-7-10)11-8-4-5-9-12(11)19-15(13)18/h4-5,8-10,17H,1-3,6-7,16H2
InChIKey
YFRHGJUZBYPRIZ-UHFFFAOYSA-N
Compound name
3-amino-4-(cyclohexylamino)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

258.13684 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 158.6
[M+Na]+ 281.12606 171.3
[M+NH4]+ 276.17066 167.5
[M+K]+ 297.10000 164.2
[M-H]- 257.12956 165.9
[M+Na-2H]- 279.11151 165.5
[M]+ 258.13629 162.4
[M]- 258.13739 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.