CID 54680650

64369-55-7

Structural Information

Molecular Formula
C13H15NO3
SMILES
CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)O
InChI
InChI=1S/C13H15NO3/c1-3-14(4-2)9-5-6-10-11(15)8-13(16)17-12(10)7-9/h5-8,15H,3-4H2,1-2H3
InChIKey
XTPBPGPAPLKZGO-UHFFFAOYSA-N
Compound name
7-(diethylamino)-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

56
Patents

233.1052 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.112476 149.8
[M+Na]+ 256.094418 158.8
[M-H]- 232.097924 155.7
[M+NH4]+ 251.139023 167.6
[M+K]+ 272.068358 157.7
[M+H-H2O]+ 216.102460 143.1
[M+HCOO]- 278.103401 172.8
[M+CH3COO]- 292.119051 195.5
[M+Na-2H]- 254.079866 157.0
[M]+ 233.10465142 154.0
[M]- 233.10574858 154.0
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