CID 50495

3-amino-4-dipropylaminocoumarin

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CCCN(CCC)C1=C(C(=O)OC2=CC=CC=C21)N
InChI
InChI=1S/C15H20N2O2/c1-3-9-17(10-4-2)14-11-7-5-6-8-12(11)19-15(18)13(14)16/h5-8H,3-4,9-10,16H2,1-2H3
InChIKey
VZAGOVHXIBZTLF-UHFFFAOYSA-N
Compound name
3-amino-4-(dipropylamino)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.15247 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 160.6
[M+Na]+ 283.14169 173.2
[M+NH4]+ 278.18629 168.6
[M+K]+ 299.11563 166.4
[M-H]- 259.14519 165.8
[M+Na-2H]- 281.12714 166.2
[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

literature stripe

Patent stripe

No patent data available for this compound.