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 161.3
[M+Na]+ 283.14169 169.0
[M-H]- 259.14519 167.6
[M+NH4]+ 278.18629 178.2
[M+K]+ 299.11563 167.3
[M+H-H2O]+ 243.14973 153.7
[M+HCOO]- 305.15067 185.2
[M+CH3COO]- 319.16632 206.4
[M+Na-2H]- 281.12714 167.0
[M]+ 260.15192 164.8
[M]- 260.15302 164.8
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.