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]+ 259.144116 156.9
[M+Na]+ 281.126058 162.8
[M-H]- 257.129564 164.2
[M+NH4]+ 276.170663 172.4
[M+K]+ 297.099998 159.7
[M+H-H2O]+ 241.134100 148.8
[M+HCOO]- 303.135041 177.5
[M+CH3COO]- 317.150691 168.3
[M+Na-2H]- 279.111506 163.1
[M]+ 258.13629142 152.4
[M]- 258.13738858 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.