CID 3040343

K 8410

Structural Information

Molecular Formula
C19H17NO2
SMILES
C=CCN(CC=C)C1=CC(=O)C2=C(O1)C=CC3=CC=CC=C32
InChI
InChI=1S/C19H17NO2/c1-3-11-20(12-4-2)18-13-16(21)19-15-8-6-5-7-14(15)9-10-17(19)22-18/h3-10,13H,1-2,11-12H2
InChIKey
GBWYBGGECUGJSW-UHFFFAOYSA-N
Compound name
3-[bis(prop-2-enyl)amino]benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

291.12592 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13320 166.5
[M+Na]+ 314.11514 176.2
[M-H]- 290.11864 174.2
[M+NH4]+ 309.15974 183.3
[M+K]+ 330.08908 172.0
[M+H-H2O]+ 274.12318 158.3
[M+HCOO]- 336.12412 190.1
[M+CH3COO]- 350.13977 209.9
[M+Na-2H]- 312.10059 174.7
[M]+ 291.12537 171.7
[M]- 291.12647 171.7
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