CID 3043710

K 8406

Structural Information

Molecular Formula
C18H19NO3
SMILES
CCN(CC)C1=CC(=O)C2=C(O1)C=CC3=C2C=C(C=C3)OC
InChI
InChI=1S/C18H19NO3/c1-4-19(5-2)17-11-15(20)18-14-10-13(21-3)8-6-12(14)7-9-16(18)22-17/h6-11H,4-5H2,1-3H3
InChIKey
ZCTRNBGVHBMJQR-UHFFFAOYSA-N
Compound name
3-(diethylamino)-9-methoxybenzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.1365 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 167.8
[M+Na]+ 320.12572 178.1
[M-H]- 296.12922 176.0
[M+NH4]+ 315.17032 184.8
[M+K]+ 336.09966 176.1
[M+H-H2O]+ 280.13376 159.6
[M+HCOO]- 342.13470 191.5
[M+CH3COO]- 356.15035 211.8
[M+Na-2H]- 318.11117 175.8
[M]+ 297.13595 175.9
[M]- 297.13705 175.9
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