CID 3154909

2-amino-7-(diethylamino)-4-(2-fluorophenyl)-4h-chromene-3-carbonitrile

Structural Information

Molecular Formula
C20H20FN3O
SMILES
CCN(CC)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC=CC=C3F
InChI
InChI=1S/C20H20FN3O/c1-3-24(4-2)13-9-10-15-18(11-13)25-20(23)16(12-22)19(15)14-7-5-6-8-17(14)21/h5-11,19H,3-4,23H2,1-2H3
InChIKey
XUHSVJGIBFLLTJ-UHFFFAOYSA-N
Compound name
2-amino-7-(diethylamino)-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.15903 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16631 185.1
[M+Na]+ 360.14825 195.1
[M-H]- 336.15175 190.8
[M+NH4]+ 355.19285 196.9
[M+K]+ 376.12219 189.0
[M+H-H2O]+ 320.15629 169.1
[M+HCOO]- 382.15723 202.0
[M+CH3COO]- 396.17288 230.4
[M+Na-2H]- 358.13370 186.6
[M]+ 337.15848 179.8
[M]- 337.15958 179.8
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.