CID 612530

4-amino-7-diethylamino-chromen-2-one

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)N
InChI
InChI=1S/C13H16N2O2/c1-3-15(4-2)9-5-6-10-11(14)8-13(16)17-12(10)7-9/h5-8H,3-4,14H2,1-2H3
InChIKey
ZWMJHQPSELHDQT-UHFFFAOYSA-N
Compound name
4-amino-7-(diethylamino)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

232.12119 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.128466 151.8
[M+Na]+ 255.110408 160.4
[M-H]- 231.113914 158.4
[M+NH4]+ 250.155013 169.8
[M+K]+ 271.084348 159.2
[M+H-H2O]+ 215.118450 144.6
[M+HCOO]- 277.119391 176.4
[M+CH3COO]- 291.135041 200.4
[M+Na-2H]- 253.095856 158.6
[M]+ 232.12064142 154.6
[M]- 232.12173858 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

patents stripe