CID 51334

1h-naphtho(2,1-b)pyran-1-one, 3-(ethylamino)-

Structural Information

Molecular Formula
C15H13NO2
SMILES
CCNC1=CC(=O)C2=C(O1)C=CC3=CC=CC=C32
InChI
InChI=1S/C15H13NO2/c1-2-16-14-9-12(17)15-11-6-4-3-5-10(11)7-8-13(15)18-14/h3-9,16H,2H2,1H3
InChIKey
GAYYBQDKHLTEBM-UHFFFAOYSA-N
Compound name
3-(ethylamino)benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.09464 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10192 149.3
[M+Na]+ 262.08386 160.3
[M-H]- 238.08736 156.4
[M+NH4]+ 257.12846 168.0
[M+K]+ 278.05780 156.8
[M+H-H2O]+ 222.09190 142.2
[M+HCOO]- 284.09284 173.6
[M+CH3COO]- 298.10849 163.4
[M+Na-2H]- 260.06931 160.6
[M]+ 239.09409 153.5
[M]- 239.09519 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe