CID 3044956

K 9847

Structural Information

Molecular Formula
C20H23NO3
SMILES
CCCN(CCC)C1=CC(=O)C2=C(O1)C(=CC3=CC=CC=C32)OC
InChI
InChI=1S/C20H23NO3/c1-4-10-21(11-5-2)18-13-16(22)19-15-9-7-6-8-14(15)12-17(23-3)20(19)24-18/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKey
LDHXGNNMBQFDSZ-UHFFFAOYSA-N
Compound name
3-(dipropylamino)-5-methoxybenzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

325.1678 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 177.5
[M+Na]+ 348.15702 186.9
[M-H]- 324.16052 185.3
[M+NH4]+ 343.20162 193.3
[M+K]+ 364.13096 184.4
[M+H-H2O]+ 308.16506 168.8
[M+HCOO]- 370.16600 200.5
[M+CH3COO]- 384.18165 217.7
[M+Na-2H]- 346.14247 184.4
[M]+ 325.16725 186.2
[M]- 325.16835 186.2
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