CID 3054619

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

Structural Information

Molecular Formula
C16H15NO2
SMILES
CCCNC1=CC(=O)C2=C(O1)C=CC3=CC=CC=C32
InChI
InChI=1S/C16H15NO2/c1-2-9-17-15-10-13(18)16-12-6-4-3-5-11(12)7-8-14(16)19-15/h3-8,10,17H,2,9H2,1H3
InChIKey
ITVDILNCABBNKR-UHFFFAOYSA-N
Compound name
3-(propylamino)benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.11028 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 154.1
[M+Na]+ 276.09950 164.6
[M-H]- 252.10300 161.0
[M+NH4]+ 271.14410 172.2
[M+K]+ 292.07344 160.9
[M+H-H2O]+ 236.10754 146.7
[M+HCOO]- 298.10848 178.1
[M+CH3COO]- 312.12413 167.8
[M+Na-2H]- 274.08495 164.9
[M]+ 253.10973 158.6
[M]- 253.11083 158.6
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