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 156.9
[M+Na]+ 281.12606 162.8
[M-H]- 257.12956 164.2
[M+NH4]+ 276.17066 172.4
[M+K]+ 297.10000 159.7
[M+H-H2O]+ 241.13410 148.8
[M+HCOO]- 303.13504 177.5
[M+CH3COO]- 317.15069 168.3
[M+Na-2H]- 279.11151 163.1
[M]+ 258.13629 152.4
[M]- 258.13739 152.4
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.