CID 3040345

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

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCCCN(CCCC)C1=CC(=O)C2=C(O1)C=CC3=CC=CC=C32
InChI
InChI=1S/C21H25NO2/c1-3-5-13-22(14-6-4-2)20-15-18(23)21-17-10-8-7-9-16(17)11-12-19(21)24-20/h7-12,15H,3-6,13-14H2,1-2H3
InChIKey
BYOAXAKOHVSYJZ-UHFFFAOYSA-N
Compound name
3-(dibutylamino)benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 178.9
[M+Na]+ 346.17776 187.1
[M-H]- 322.18126 186.1
[M+NH4]+ 341.22236 194.6
[M+K]+ 362.15170 183.6
[M+H-H2O]+ 306.18580 170.1
[M+HCOO]- 368.18674 201.4
[M+CH3COO]- 382.20239 217.3
[M+Na-2H]- 344.16321 185.8
[M]+ 323.18799 186.1
[M]- 323.18909 186.1
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

No patent data available for this compound.