CID 58376

3-amino-4-diethylaminocoumarin

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CCN(CC)C1=C(C(=O)OC2=CC=CC=C21)N
InChI
InChI=1S/C13H16N2O2/c1-3-15(4-2)12-9-7-5-6-8-10(9)17-13(16)11(12)14/h5-8H,3-4,14H2,1-2H3
InChIKey
VGSSSRDHKMKFIO-UHFFFAOYSA-N
Compound name
3-amino-4-(diethylamino)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 151.8
[M+Na]+ 255.11041 160.4
[M-H]- 231.11391 158.4
[M+NH4]+ 250.15501 169.8
[M+K]+ 271.08435 159.2
[M+H-H2O]+ 215.11845 144.6
[M+HCOO]- 277.11939 176.4
[M+CH3COO]- 291.13504 200.4
[M+Na-2H]- 253.09586 158.6
[M]+ 232.12064 154.6
[M]- 232.12174 154.6
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.